UCSF

ZINC00156235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 4'-(Trifluoromethyl)propiophenone 4'-(Trifluoromethyl)propiophenone

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CAS Numbers: 711-33-1 , [711-33-1]

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) 3.23 3.87 -6.31 0 1 0 17 202.175 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 216° Matrix Scientific
Melting_Point 35-37? Alfa-Aesar
Melting_Point 35-37° Alfa-Aesar
MP 36-37° Matrix Scientific
Boiling_Point 62?/2mm Alfa-Aesar
Boiling_Point 62°/2mm Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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