Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KV4R6B8YXU
EPA CompTox DTXSID20214465

Structure

InChI Key OJTMHIMQUQOLJV-UHFFFAOYSA-N
Smiles N#CC1=CC(F)=CC=C1F
InChI
InChI=1/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3F2N
Molecular Weight 139.02
AlogP 1.84
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 64248-64-2
NORMAN SUSDAT
FDA SRS KV4R6B8YXU
PubChem 123558