Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30157718

Structure

InChI Key RRZIJNVZMJUGTK-UHFFFAOYSA-N
Smiles FC(F)=C(F)OC(F)=C(F)F
InChI
InChI=1/C4F6O/c5-1(6)3(9)11-4(10)2(7)8

Physicochemical Descriptors

Property Name Value
Molecular Formula C4F6O
Molecular Weight 177.99
AlogP 3.07
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13269-86-8
NORMAN SUSDAT
PubChem 83286