Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20880220

Structure

InChI Key ZHOFEJCLMUIOIW-UHFFFAOYSA-N
Smiles FC(F)=C(F)C(F)(F)C1(F)OC1(F)F
InChI
InChI=1S/C5F8O/c6-1(2(7)8)3(9,10)4(11)5(12,13)14-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C5F8O1
Molecular Weight 227.98
AlogP 2.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.53
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 15453-08-4
NORMAN SUSDAT
PubChem 84925
ChemSpider 76613.0