Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HDK5P9UB6S
EPA CompTox DTXSID4059912

Structure

InChI Key AFHPVXVEXINDFS-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)CI
InChI
InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H2F7I1
Molecular Weight 309.91
AlogP 3.25
Number of Rotational Bond 2.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 374-98-1
NORMAN SUSDAT
FDA SRS HDK5P9UB6S
PubChem 67806
ChemSpider 61123.0