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

Structure

InChI Key WJSFZGPTEQNWCB-UHFFFAOYSA-N
Smiles O=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C8H3F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3F13O1
Molecular Weight 362.0
AlogP 4.31
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 17.07
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 56734-81-7
NORMAN SUSDAT
PubChem 2776269
ChemSpider 2056588.0