Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50880995

Structure

InChI Key FZTKCIWSVIVEKI-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F
InChI
InChI=1S/C8F16O3/c9-1(3(11,12)13)6(20,21)25-2(10,4(14,15)16)8(24,26-1)27-7(22,23)5(17,18)19

Physicochemical Descriptors

Property Name Value
Molecular Formula C8F16O3
Molecular Weight 447.96
AlogP 4.88
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 27.69
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 84041-66-7
NORMAN SUSDAT
PubChem 11970768
ChemSpider 10144150.0