Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S6AXJ58PRH
EPA CompTox DTXSID80240285

Structure

InChI Key YCNNNSKOYTXTQL-UHFFFAOYSA-N
Smiles FC(F)(F)C=1C=CC=CC1CCCl
InChI
InChI=1/C9H8ClF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8ClF3
Molecular Weight 208.03
AlogP 3.49
Number of Rotational Bond 2.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 94022-94-3
NORMAN SUSDAT
FDA SRS S6AXJ58PRH
PubChem 594362