Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30917415

Structure

InChI Key OHNPHEFKAOEHSF-UHFFFAOYSA-N
Smiles FC(C(F)(F)F)C(F)(F)COCC1OC1
InChI
InChI=1/C7H8F6O2/c8-5(7(11,12)13)6(9,10)3-14-1-4-2-15-4/h4-5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8F6O2
Molecular Weight 238.04
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 21.76
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 93858-69-6
NORMAN SUSDAT
PubChem 5744153