Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U3AG54VQ4L
EPA CompTox DTXSID10192445

Structure

InChI Key FMFMWMOBOFPQMW-UHFFFAOYSA-N
Smiles CCOC(=O)C(=C(F)F)F
InChI
InChI=1S/C5H5F3O2/c1-2-10-5(9)3(6)4(7)8/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5F3O2
Molecular Weight 154.02
AlogP 1.63
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 392-68-7
NORMAN SUSDAT
FDA SRS U3AG54VQ4L
PubChem 3013873
ChemSpider 2282444.0