Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70156624

Structure

InChI Key JTCVKNUSIGHJRG-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(OC(=O)C=C)C(F)(F)F
InChI
InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3F7O2
Molecular Weight 240.0
AlogP 2.51
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 13057-08-4
NORMAN SUSDAT
PubChem 83092
ChemSpider 3640.0