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

Structure

InChI Key HFHWKEZNQKNBEL-IWQZZHSRSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)/C(F)=C/C=O
InChI
InChI=1S/C6H2F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1-2H/b3-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2F8O1
Molecular Weight 242.0
AlogP 2.87
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 864551-39-3
NORMAN SUSDAT
ChemSpider 3249.0