Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q79PK8P9BW
EPA CompTox DTXSID20146838

Structure

InChI Key GQCQMFYIFUDARF-UHFFFAOYSA-N
Smiles FC(F)=C(F)CCBr
InChI
InChI=1/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4BrF3
Molecular Weight 187.94
AlogP 2.85
Number of Rotational Bond 2.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 10493-44-4
NORMAN SUSDAT
FDA SRS Q79PK8P9BW
PubChem 66333