Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L528E78CY3
EPA CompTox DTXSID90180087

Structure

InChI Key RXZWAMINHJDYKW-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C
InChI
InChI=1S/C9H3F15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H3F15
Molecular Weight 396.0
AlogP 5.55
Number of Rotational Bond 6.0
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 25431-45-2
NORMAN SUSDAT
FDA SRS L528E78CY3
PubChem 117482
ChemSpider 81810.0