UCSF

ZINC02504412

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 1-(Pentafluorophenyl)ethanol 1-(Pentafluorophenyl)ethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104371-21-3 , 7583-08-6 , 75853-08-6 , 830-50-2 , [75853-08-6] , [830-50-2]

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) 2.03 2.65 -2.13 1 1 0 20 212.117 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 102-103°/30mm Matrix Scientific
Melting_Point 32-34? Alfa-Aesar
Melting_Point 32-34° Alfa-Aesar
MP 34-37° Matrix Scientific
Boiling_Point 68-70?/30mm Alfa-Aesar
Boiling_Point 68-70°/30mm Alfa-Aesar
bp 91 - 93 (p=18 torr) MolMall (formerly Molecular Diversity Preservation International)
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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