Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30233046

Structure

InChI Key OUJAXDQRZMGUOM-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC=C
InChI
InChI=1S/C8H5F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5F9O2
Molecular Weight 304.01
AlogP 3.18
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 84145-17-5
NORMAN SUSDAT
PubChem 2735874
ChemSpider 2017559.0