Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T7E2MA3AD2
EPA CompTox DTXSID90190949

Structure

InChI Key JOQDDLBOAIKFQX-UHFFFAOYSA-N
Smiles FC(I)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChI
InChI=1S/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20

Physicochemical Descriptors

Property Name Value
Molecular Formula C6F12I2
Molecular Weight 553.79
AlogP 5.58
Number of Rotational Bond 5.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 375-80-4
NORMAN SUSDAT
FDA SRS T7E2MA3AD2
PubChem 78994
ChemSpider 71327.0