Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DKZ5SP3LRX
EPA CompTox DTXSID0073906

Structure

InChI Key AYAIRPGAABBRLY-UHFFFAOYSA-N
Smiles FC(F)C(F)(F)C(F)(F)Cl
InChI
InChI=1/C3HClF6/c4-3(9,10)2(7,8)1(5)6/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3HClF6
Molecular Weight 185.97
AlogP 2.72
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 422-55-9
NORMAN SUSDAT
FDA SRS DKZ5SP3LRX
PubChem 67910