UCSF

ZINC02545387

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: 3,5-Bis(trifluoromethyl)styrene 3,5-Bis(trifluoromethyl)styrene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 349-59-7 , [349-59-7]

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) 4.51 7.6 -2.65 0 0 0 0 240.146 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 59-61?/20mm Alfa-Aesar
Boiling_Point 59-61°/20mm Alfa-Aesar
BP 60°/20 Torr Matrix Scientific
Melting_Point 7-8? Alfa-Aesar
MP 7-8° Matrix Scientific
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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