Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40186438

Structure

InChI Key NHUGIBLDSYCOAQ-UHFFFAOYSA-N
Smiles FC(F)(OCCl)C(F)(Cl)Cl
InChI
InChI=1/C3H2Cl3F3O/c4-1-10-3(8,9)2(5,6)7/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Cl3F3O
Molecular Weight 215.91
AlogP 2.89
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 32776-56-0
NORMAN SUSDAT
PubChem 122958