Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40880227

Structure

InChI Key JPAQRQFVIPWHNE-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)CC(=O)OC=C
InChI
InChI=1S/C7H5F7O2/c1-2-16-4(15)3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5F7O2
Molecular Weight 254.02
AlogP 2.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 17165-55-8
NORMAN SUSDAT
PubChem 86519
ChemSpider 77214.0