Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10420174

Structure

InChI Key UUODQIKUTGWMPT-UHFFFAOYSA-N
Smiles Fc1ccc(cn1)C(F)(F)F
InChI
InChI=1S/C6H3F4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3F4N1
Molecular Weight 165.02
AlogP 2.24
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 69045-82-5
NORMAN SUSDAT
PubChem 5463754
ChemSpider 4576326.0