Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6U74LQW4K6
EPA CompTox DTXSID10195815

Structure

InChI Key CSSYKHYGURSRAZ-UHFFFAOYSA-N
Smiles COC(=O)C(F)F
InChI
InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4F2O2
Molecular Weight 110.02
AlogP 0.42
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 433-53-4
NORMAN SUSDAT
FDA SRS 6U74LQW4K6
PubChem 79012
ChemSpider 71345.0