Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FO7JHA3G03
EPA CompTox DTXSID5059957

Structure

InChI Key DLEGDLSLRSOURQ-UHFFFAOYSA-N
Smiles FC(F)(F)COC=C
InChI
InChI=1/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5F3O
Molecular Weight 126.03
AlogP 1.71
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 406-90-6
NORMAN SUSDAT
FDA SRS FO7JHA3G03
PubChem 9844