Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J4KBI9S48D
EPA CompTox DTXSID8067076

Structure

InChI Key FYQFWFHDPNXORA-UHFFFAOYSA-N
Smiles C(C(C(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)=C
InChI
InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3F13
Molecular Weight 346.0
AlogP 4.91
Number of Rotational Bond 5.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 25291-17-2
NORMAN SUSDAT
FDA SRS J4KBI9S48D
PubChem 91384
ChemSpider 82518.0