Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LAJ9NWW9KV
EPA CompTox DTXSID90880151

Structure

InChI Key AILNJPONTDNFHN-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C8F18/c9-1(5(15,16)17,3(11,12)7(21,22)23)2(10,6(18,19)20)4(13,14)8(24,25)26

Physicochemical Descriptors

Property Name Value
Molecular Formula C8F18
Molecular Weight 437.97
AlogP 5.92
Number of Rotational Bond 3.0
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 1735-48-4
NORMAN SUSDAT
FDA SRS LAJ9NWW9KV
PubChem 102157
ChemSpider 92291.0