UCSF

ZINC02040597

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 No

Popular Name: 2-Fluoro-1-phenylethanone 2-Fluoro-1-phenylethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 445-27-2 , 450-95-3 , 752936-29-1 , [450-95-3]

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) 1.76 5.1 -9.26 0 1 0 17 138.141 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 26-27° Oakwood Chemical
BP 61-64°/1.3mm Oakwood Chemical
MP 75° Oakwood Chemical
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5223523; US5252426; US5356908; WO1993003414A1 IBM Patent Data

Activity (Go SEA)

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

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