Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4GXW7LD9C3
EPA CompTox DTXSID70170108

Structure

InChI Key AKAQZCPDRXZZJS-UHFFFAOYSA-N
Smiles FC(F)(C=C)C(F)(F)C=C
InChI
InChI=1/C6H6F4/c1-3-5(7,8)6(9,10)4-2/h3-4H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6F4
Molecular Weight 154.04
AlogP 2.63
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1763-21-9
NORMAN SUSDAT
FDA SRS 4GXW7LD9C3
PubChem 74482