Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90174941

Structure

InChI Key MGKBKOFWQWACLM-UHFFFAOYSA-N
Smiles FC(F)(F)C(=O)CC(=O)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6H2F8O2/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2F8O2
Molecular Weight 257.99
AlogP 2.27
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 34.14
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 20825-07-4
NORMAN SUSDAT
PubChem 140764
ChemSpider 124156.0