Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00379884

Structure

InChI Key BKXKCZGEIQKTBI-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)CC1CO1
InChI
InChI=1S/C8H5F11O/c9-4(10,1-3-2-20-3)6(12,13)5(11,7(14,15)16)8(17,18)19/h3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5F11O1
Molecular Weight 326.02
AlogP 3.88
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.53
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 54009-81-3
NORMAN SUSDAT
PubChem 2776200
ChemSpider 2056521.0