Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S5CHL3HC6D
EPA CompTox DTXSID5059828

Structure

InChI Key AHUMDLIBMIYQMU-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChI
InChI=1S/C7F15I/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F15I1
Molecular Weight 495.88
AlogP 5.75
Number of Rotational Bond 5.0
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 335-58-0
NORMAN SUSDAT
FDA SRS S5CHL3HC6D
PubChem 67633
ChemSpider 60952.0