In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2008 | 17 | Yes |
Popular Name: 4-(Trifluoromethyl)quinoline-2-carboxylic acid 4-(Trifluoromethyl)quinoline-2-c…
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CAS Numbers: 588702-67-4 , [588702-67-4]
4-(Trifluoromethyl)quinoline-2-carboxylic acid, 95%
4-trifluoromethyl-quinoline-2-carboxylic acid
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) | 3.10 | 5.32 | -51.47 | 0 | 3 | -1 | 53 | 240.16 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 142 - 143 | MolMall (formerly Molecular Diversity Preservation International) |
Purity | 95+% | Matrix Scientific |
Purity | 97% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |
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) | 2.46 | 5.46 | -54.72 | 0 | 3 | -1 | 53 | 240.16 | 2 | ↓ |
Popular Name: 6-Fluoro-4-(trifluoromethyl)quinoline-2-carboxylic acid 6-Fluoro-4-(trifluoromethyl)quin…
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) | 2.27 | 6.36 | -43.6 | 0 | 3 | -1 | 53 | 258.15 | 2 | ↓ |
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) | 3.50 | 7.12 | -49.69 | 0 | 3 | -1 | 53 | 254.187 | 2 | ↓ |
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 | 5.59 | -49.68 | 0 | 4 | -1 | 62 | 270.186 | 3 | ↓ |
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) | 3.52 | 6.94 | -49.1 | 0 | 3 | -1 | 53 | 254.187 | 2 | ↓ |
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) | 2.56 | 4.79 | -30.94 | 3 | 4 | 0 | 80 | 256.183 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 4.41 | -54.12 | 2 | 4 | -1 | 79 | 255.175 | 2 | ↓ |