Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DZ5VE325KK
EPA CompTox DTXSID00207592

Structure

InChI Key AMEPFZHWBYLCRO-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(=O)OCC=C
InChI
InChI=1S/C6H5F5O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h2H,1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5F5O2
Molecular Weight 204.02
AlogP 1.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 58883-50-4
NORMAN SUSDAT
FDA SRS DZ5VE325KK
PubChem 100874
ChemSpider 91140.0