Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JKF8L5LD6K
EPA CompTox DTXSID9066388

Structure

InChI Key ASHCDEYFCNWSTR-UHFFFAOYSA-N
Smiles FC(F)(Br)C(F)(F)CCBr
InChI
InChI=1S/C4H4Br2F4/c5-2-1-3(7,8)4(6,9)10/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4Br2F4
Molecular Weight 285.86
AlogP 3.39
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 18599-20-7
NORMAN SUSDAT
FDA SRS JKF8L5LD6K
PubChem 87719
ChemSpider 79138.0