Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QUH8QE13IZ
EPA CompTox DTXSID8073475

Structure

InChI Key OUJSWWHXKJQNMJ-UHFFFAOYSA-N
Smiles FC(F)(I)C(F)(F)C=C
InChI
InChI=1S/C4H3F4I/c1-2-3(5,6)4(7,8)9/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3F4I1
Molecular Weight 253.92
AlogP 2.84
Number of Rotational Bond 2.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 33831-83-3
NORMAN SUSDAT
FDA SRS QUH8QE13IZ
PubChem 118555
ChemSpider 105957.0