Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20374230

Structure

InChI Key DZDSQRPDUCSOQV-UHFFFAOYSA-N
Smiles FC(F)(F)C(=O)c1cc(Cl)cc(Cl)c1
InChI
InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3Cl2F3O1
Molecular Weight 241.95
AlogP 3.74
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 130336-16-2
NORMAN SUSDAT
PubChem 2758231
ChemSpider 2038990.0