Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A3R5VZ4KWN
EPA CompTox DTXSID0060010

Structure

InChI Key GZKHDVAKKLTJPO-UHFFFAOYSA-N
Smiles CCOC(=O)C(F)F
InChI
InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6F2O2
Molecular Weight 124.03
AlogP 0.81
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 454-31-9
NORMAN SUSDAT
FDA SRS A3R5VZ4KWN
PubChem 9961
ChemSpider 9567.0