UCSF

ZINC02600086

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-Fluoro-5-(trifluoromethyl)benzyl alcohol 3-Fluoro-5-(trifluoromethyl)benz…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 184970-29-4 , [184970-29-4]

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) 2.26 1.56 -4.57 1 1 0 20 194.127 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 80-82?/3mm Alfa-Aesar
BP 80-82C/3mm Oakwood Chemical
Boiling_Point 80-82°/3mm Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000018723A1; WO2000018724A1 IBM Patent Data

Activity (Go SEA)

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

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