Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PSC3P6K8L4
EPA CompTox DTXSID2060331

Structure

InChI Key YYCFEDCTRHSPLB-UHFFFAOYSA-N
Smiles FC(I)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C9F19I/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29

Physicochemical Descriptors

Property Name Value
Molecular Formula C9F19I1
Molecular Weight 595.87
AlogP 7.02
Number of Rotational Bond 7.0
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 558-97-4
NORMAN SUSDAT
FDA SRS PSC3P6K8L4
PubChem 101766
ChemSpider 91950.0