Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MO8U9H1FAS
EPA CompTox DTXSID3073185

Structure

InChI Key RJBYSQHLLIHSLT-UHFFFAOYSA-N
Smiles COC(=O)CF
InChI
InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5F1O2
Molecular Weight 92.03
AlogP 0.13
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 453-18-9
NORMAN SUSDAT
FDA SRS MO8U9H1FAS
PubChem 9959
ChemSpider 9565.0