Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L4G8RBU4W9
EPA CompTox DTXSID90162186

Structure

InChI Key DTDFWYZVBJYVPL-UHFFFAOYSA-N
Smiles FC(F)C(F)(F)OCC=C
InChI
InChI=1/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6F4O
Molecular Weight 158.04
AlogP 2.05
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1428-33-7
NORMAN SUSDAT
FDA SRS L4G8RBU4W9
PubChem 74026