Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20995888

Structure

InChI Key BOASSOYETJYEJF-UHFFFAOYSA-N
Smiles O=C(OCC(F)(F)F)C(Cl)=C
InChI
InChI=1/C5H4ClF3O2/c1-3(6)4(10)11-2-5(7,8)9/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4ClF3O2
Molecular Weight 187.99
AlogP 1.84
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 74359-02-7
NORMAN SUSDAT
PubChem 3018501