UCSF

ZINC02598073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 Yes

Popular Name: 1-[4-(Trifluoromethyl)phenyl]ethanol 1-[4-(Trifluoromethyl)phenyl]eth…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1737-26-4 , 76155-79-8 , 99493-93-3

Download: MOL2 SDF SMILES Flexibase

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) 2.40 1.23 -4.31 1 1 0 20 190.164 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 106-107°/8mm Oakwood Chemical
BP 143-145°/20mm Matrix Scientific
Boiling_Point 62-63?/0.5mm Alfa-Aesar
Boiling_Point 62-63°/0.5mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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