Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MG8477QRV4
EPA CompTox DTXSID4061753

Structure

InChI Key QAMFBRUWYYMMGJ-UHFFFAOYSA-N
Smiles O=C(CC(=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H2F6O2
Molecular Weight 208.0
AlogP 1.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 1522-22-1
NORMAN SUSDAT
FDA SRS MG8477QRV4
PubChem 73706