Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 68CN7ME67X
EPA CompTox DTXSID9061126

Structure

InChI Key YXWJGZQOGXGSSC-UHFFFAOYSA-N
Smiles N#CC=1C(F)=C(F)C(F)=C(F)C1F
InChI
InChI=1/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F5N
Molecular Weight 193.0
AlogP 2.25
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 773-82-0
NORMAN SUSDAT
FDA SRS 68CN7ME67X
PubChem 69882