Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00234762

Structure

InChI Key QHWIJHPTWWGUOY-UHFFFAOYSA-N
Smiles CCOCCOC(F)(F)C(F)F
InChI
InChI=1S/C6H10F4O2/c1-2-11-3-4-12-6(9,10)5(7)8/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10F4O2
Molecular Weight 190.06
AlogP 1.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 18.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 85567-23-3
NORMAN SUSDAT
PubChem 3020797
ChemSpider 2287588.0