Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 625H9FC8CE
EPA CompTox DTXSID10191397

Structure

InChI Key JTZSFNHHVULOGJ-UHFFFAOYSA-N
Smiles FC(F)(F)C=1C=NC=CC1
InChI
InChI=1/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4F3N
Molecular Weight 147.03
AlogP 2.1
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3796-23-4
NORMAN SUSDAT
FDA SRS 625H9FC8CE
PubChem 77417