Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XHY4SX6N97
EPA CompTox DTXSID5060936

Structure

InChI Key KCEJJSGJNCSQFI-UHFFFAOYSA-N
Smiles FC(I)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17

Physicochemical Descriptors

Property Name Value
Molecular Formula C5F11I1
Molecular Weight 395.89
AlogP 4.48
Number of Rotational Bond 3.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 638-79-9
NORMAN SUSDAT
FDA SRS XHY4SX6N97
PubChem 69494
ChemSpider 62700.0