Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q4S6RK77S9
EPA CompTox DTXSID3059929

Structure

InChI Key BLZSSBPZHBFNBN-UHFFFAOYSA-N
Smiles CCOC(=O)C(F)(F)C(F)(F)C(=O)OCC
InChI
InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10F4O4
Molecular Weight 246.05
AlogP 1.38
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 52.6
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 377-71-9
NORMAN SUSDAT
FDA SRS Q4S6RK77S9
PubChem 67834
ChemSpider 61151.0