Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AUS1L6UM7B
EPA CompTox DTXSID8060034

Structure

InChI Key VCYZVXRKYPKDQB-UHFFFAOYSA-N
Smiles CCOC(=O)CF
InChI
InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7F1O2
Molecular Weight 106.04
AlogP 0.52
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 459-72-3
NORMAN SUSDAT
FDA SRS AUS1L6UM7B
PubChem 9988
ChemSpider 9514.0