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

Structure

InChI Key LQERGGUGOIACQD-IWQZZHSRSA-N
Smiles FC(F)(C(F)(C(F)(C(F)(F)C(F)(F)F)F)F)C(F)(F)C(F)(F)/C(F)=C/C=O
InChI
InChI=1S/C10H2F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1-2H/b3-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H2F16O1
Molecular Weight 441.99
AlogP 5.41
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 17.07
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 58544-13-1
NORMAN SUSDAT
PubChem 20111612
ChemSpider 16787171.0