Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7JN3IKF9RX
EPA CompTox DTXSID1047578

Structure

InChI Key CXHFIVFPHDGZIS-UHFFFAOYSA-N
Smiles C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CI
InChI
InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4F9I1
Molecular Weight 373.92
AlogP 4.28
Number of Rotational Bond 4.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 2043-55-2
NORMAN SUSDAT
FDA SRS 7JN3IKF9RX
PubChem 74887
ChemSpider 67450.0