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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Difluoroacetic acid Difluoroacetic acid

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 1.44 -39.31 0 2 -1 40 95.024 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Trifluoroacetic acid Trifluoroacetic acid

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 1.58 -34.03 0 2 -1 40 113.014 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,4-Difluorocyclohexyl)methanamine hydrochloride (4,4-Difluorocyclohexyl)methanam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 2.99 -48.38 3 1 1 28 150.192 1 ↓

Analogs

39050827
39050827

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Amino-3-fluoropyridine 4-Amino-3-fluoropyridine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.44 0.98 -31.4 3 2 1 40 113.115 0 ↓

Analogs

2506707
2506707

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(Trifluoromethyl)pyrrolidine 2-(Trifluoromethyl)pyrrolidine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 2.82 -37.24 2 1 1 17 140.128 1 ↓

Analogs

2582568
2582568

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(trifluoromethyl)pyrrolidine 2-(trifluoromethyl)pyrrolidine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 2.79 -37.17 2 1 1 17 140.128 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-difluorosuccinic acid 2,2-difluorosuccinic acid

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 1.85 -99.08 0 4 -2 80 152.052 3 ↓

Analogs

34589078
34589078

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Fluoropyridine-2-carboxylic acid 5-Fluoropyridine-2-carboxylic acid

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 2.38 -47.79 0 3 -1 53 140.093 1 ↓

Analogs

2583796
2583796

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-fluoropyrrolidine-2-carboxylic acid (2S,4R)-4-fluoropyrrolidine-2-ca…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.71 -0.78 -40.72 2 3 0 56 133.122 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-Difluoropiperidine hydrochloride 4,4-Difluoropiperidine hydrochlo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 2.6 -43.08 2 1 1 17 122.138 0 ↓

Analogs

1706737
1706737
5071679
5071679

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Diazabicyclo[2.2.2]octane 1,4-Diazabicyclo[2.2.2]octane

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.10 1.32 -33.62 1 2 1 8 113.184 0 ↓
Hi High (pH 8-9.5) 0.10 -1.16 -1.45 0 2 0 6 112.176 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-Trifluorophenol 3,4,5-Trifluorophenol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 1.82 -5.33 1 1 0 20 148.083 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Fluoro-3-(trifluoromethyl)phenacyl bromide 4-Fluoro-3-(trifluoromethyl)phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 6.77 -10.72 0 1 0 17 285.034 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Fluoro-6-methylbenzonitrile 2-Fluoro-6-methylbenzonitrile

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 5.43 -7.37 0 1 0 24 135.141 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol (3-Methyl-4-(2,2,2-trifluoroetho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 1.3 -8.96 1 3 0 42 221.178 4 ↓
Mid Mid (pH 6-8) 1.80 1.58 -36.65 2 3 1 44 222.186 4 ↓

Analogs

8698355
8698355

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Fluoro-1,3-dioxolan-2-one 4-Fluoro-1,3-dioxolan-2-one

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.28 2.1 -10.6 0 3 0 36 106.052 0 ↓

Analogs

14628559
14628559

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Fluoro-1,3-dioxolan-2-one 4-Fluoro-1,3-dioxolan-2-one

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.28 2.1 -10.6 0 3 0 36 106.052 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methoxy-5-(trifluoromethoxy)benzaldehyde 2-Methoxy-5-(trifluoromethoxy)be…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 3.23 -6.13 0 3 0 35 220.146 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 4,4-difluorocyclohexanecarboxylate Ethyl 4,4-difluorocyclohexanecar…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 3.4 -6.64 0 2 0 26 192.205 3 ↓

Analogs

2584332
2584332

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Popular Name: 2,2,3,3,3-Pentafluoropropylamine 2,2,3,3,3-Pentafluoropropylamine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.68 0.47 -2.74 2 1 0 26 149.062 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4,4-Trifluorobutyronitrile 4,4,4-Trifluorobutyronitrile

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 3.82 -6.83 0 1 0 24 123.077 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5,6-Trifluoropyridine-3-carbonitrile 2,5,6-Trifluoropyridine-3-carbon…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 3.04 -5.4 0 2 0 37 158.082 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-Difluoropyridine 3,4-Difluoropyridine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.12 2.88 -4.17 0 1 0 13 115.082 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Chloro-2-(trifluoromethyl)pyridine 4-Chloro-2-(trifluoromethyl)pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 4.35 -4.23 0 1 0 13 181.544 1 ↓

Analogs

2379402
2379402

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 2-fluoropropionate Ethyl 2-fluoropropionate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 3.98 -5.26 0 2 0 26 120.123 3 ↓

Analogs

1674837
1674837

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 2-fluoropropionate Ethyl 2-fluoropropionate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 3.97 -5.26 0 2 0 26 120.123 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-4-methylpentane-1,3-dione 1-(4-fluorophenyl)-4-methylpenta…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 8.67 -15.21 0 2 0 34 208.232 4 ↓
Hi High (pH 8-9.5) 2.93 7.55 -46.59 0 2 -1 40 207.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Diethyl 4,4-difluoroheptanedioate Diethyl 4,4-difluoroheptanedioate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 8.01 -7.32 0 4 0 53 252.257 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl4,4-difluorocyclohexanecarboxylate Methyl4,4-difluorocyclohexanecar…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 5.6 -7.01 0 2 0 26 178.178 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-Trifluoroethylamine 2,2,2-Trifluoroethylamine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.04 -0.41 -2.95 2 1 0 26 99.055 1 ↓

Analogs

8698369
8698369

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Bromo-2,2-difluoroethylamine hydrochloride 2-Bromo-2,2-difluoroethylamine h…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 0.11 -3.03 2 1 0 26 159.961 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-Difluoroazetidine hydrochloride 3,3-Difluoroazetidine hydrochloride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 -0.79 -3.72 1 1 0 12 93.076 0 ↓

Analogs

34933671
34933671
2540431
2540431
5370658
5370658

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1,1-Trifluoropropan-2-amine 1,1,1-Trifluoropropan-2-amine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.44 0.26 -2.64 2 1 0 26 113.082 1 ↓

Analogs

34544344
34544344
34544345
34544345
52232469
52232469

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 2,2-difluorohexanoate ethyl 2,2-difluorohexanoate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 6.32 -3.09 0 2 0 26 180.194 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate Dimethyl (3,3-difluoro-2-oxohept…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.36 5.95 -13.69 0 4 0 53 258.201 8 ↓

Analogs

34933668
34933668

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1,1-Trifluoropropan-2-amine 1,1,1-Trifluoropropan-2-amine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.44 0.26 -2.58 2 1 0 26 113.082 1 ↓

Analogs

44198475
44198475

Draw Identity 99% 90% 80% 70%

Popular Name: (4-Bromo-2-(trifluoromethoxy)phenyl)methanol (4-Bromo-2-(trifluoromethoxy)phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 2.45 -3.1 1 2 0 29 271.032 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-(trifluoromethoxy)benzaldehyde 4-bromo-2-(trifluoromethoxy)benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 4.72 -3.36 0 2 0 26 269.016 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-Difluorocyclohexanecarboxamide 4,4-Difluorocyclohexanecarboxamide

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 1.64 -10.09 2 2 0 43 163.167 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cyclopropanepropanoic acid, b-oxo-1-(trifluoromethyl)- Cyclopropanepropanoic acid, b-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.37 5.97 -48.18 0 3 -1 57 195.116 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl iododifluoroacetate Ethyl iododifluoroacetate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 2.44 -1.98 0 2 0 26 249.982 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol 1,1,1-Trifluoro-2-(trifluorometh…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 3.25 -3.49 1 1 0 20 208.101 4 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-4-(trifluoromethyl)pyridine 2-chloro-6-methyl-4-(trifluorome…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 2.47 -3.48 0 1 0 13 195.571 1 ↓

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Popular Name: ethyl 3-(4-fluorophenyl)-3-oxopropanoate ethyl 3-(4-fluorophenyl)-3-oxopr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 7.71 -13.1 0 3 0 43 210.204 5 ↓

Analogs

2576918
2576918

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Popular Name: Difluoromethyl 2,2,2-trifluoroethyl ether Difluoromethyl 2,2,2-trifluoroet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 1.98 -4.11 0 1 0 9 150.046 3 ↓

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Popular Name: Diethyl fluoromalonate Diethyl fluoromalonate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 5.34 -8.8 0 4 0 53 178.159 6 ↓

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Popular Name: 2-Amino-4-(trifluoromethyl)pyrimidine 2-Amino-4-(trifluoromethyl)pyrim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.95 2.93 -5.95 2 3 0 52 163.102 1 ↓

Analogs

36457141
36457141

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Popular Name: 2-Hydroxy-4-(trifluoromethyl)pyrimidine 2-Hydroxy-4-(trifluoromethyl)pyr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 -0.7 -39.55 0 3 -1 49 163.078 1 ↓
Mid Mid (pH 6-8) 0.79 0.43 -19.06 1 3 0 46 164.086 1 ↓

Analogs

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Popular Name: 3-Fluoro-4-methoxyaniline 3-Fluoro-4-methoxyaniline

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 1.72 -6.25 2 2 0 35 141.145 1 ↓

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Popular Name: 2-Fluoro-4-iodoaniline 2-Fluoro-4-iodoaniline

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 -0.92 -2.86 2 1 0 26 237.015 0 ↓

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