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

Structure

InChI Key KDGIOTBLYAPNRR-UHFFFAOYSA-N
Smiles FC(F)(C(F)(F)CC=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C10H3F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H3F17O1
Molecular Weight 461.99
AlogP 5.58
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 17.07
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 135984-68-8
NORMAN SUSDAT
PubChem 10095866
ChemSpider 8271401.0