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

Structure

InChI Key BEECAQIHCYTZHC-UHFFFAOYSA-N
Smiles FC=1C=C(N)C(F)=C(F)C1F
InChI
InChI=1/C6H3F4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3F4N
Molecular Weight 165.02
AlogP 1.83
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 71964-99-3
NORMAN SUSDAT
PubChem 21757