Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10160684

Structure

InChI Key KGJWCQOEERZJMB-UHFFFAOYSA-N
Smiles FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChI
InChI=1S/C7F12O2/c8-1(9)3(12)20-6(16,17)5(14,15)7(18,19)21-4(13)2(10)11

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F12O2
Molecular Weight 343.97
AlogP 4.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 18.46
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 13846-22-5
NORMAN SUSDAT
PubChem 83771
ChemSpider 75592.0