Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00344572

Structure

InChI Key BCQYNSPESDDJBZ-UHFFFAOYSA-N
Smiles CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C9H3F14NO2/c1-24(2(25)4(10,11)6(14,15)8(18,19)20)3(26)5(12,13)7(16,17)9(21,22)23/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H3F14N1O2
Molecular Weight 422.99
AlogP 3.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 37.38
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 73980-71-9
NORMAN SUSDAT
PubChem 597974
ChemSpider 519801.0