Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 698P33664Y
EPA CompTox DTXSID40188992

Structure

InChI Key ROVMKEZVKFJNBD-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6F14/c7-1(4(12,13)14,5(15,16)17)2(8,9)3(10,11)6(18,19)20

Physicochemical Descriptors

Property Name Value
Molecular Formula C6F14
Molecular Weight 337.98
AlogP 4.65
Number of Rotational Bond 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 355-04-4
NORMAN SUSDAT
FDA SRS 698P33664Y
PubChem 67726
ChemSpider 61045.0