Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5F2C8LX8IE
EPA CompTox DTXSID7074080

Structure

InChI Key ABNQGNFVSFKJGI-UHFFFAOYSA-N
Smiles FC(F)(F)c1cnc(Cl)c(Cl)c1
InChI
InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl2F3N1
Molecular Weight 214.95
AlogP 3.41
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 69045-84-7
NORMAN SUSDAT
FDA SRS 5F2C8LX8IE
PubChem 112234
ChemSpider 100607.0