UCSF

ZINC02525425

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 6 Yes

Popular Name: 3-Fluoropyrrolidine 3-Fluoropyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 116574-74-4 , 136725-53-6 , 136725-54-7 , 136725-55-8 , 169750-17-8 , 679431-51-7 , [116574-74-4] , [169750-17-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.52 1.87 -38.46 2 1 1 17 90.121 0 ↓
Hi High (pH 8-9.5) 4.20 10.58 -22.13 1 6 0 74 393.439 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 180 - 182 Acros Organics
MP 182-185° Matrix Scientific
Melting_Point 183-186? Alfa-Aesar
Melting_Point 183-186° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Matrix Scientific
Purity >95% Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XN: Harmful Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.