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

Structure

InChI Key WRDGNXCXTDDYBZ-UHFFFAOYSA-N
Smiles Nc1ccc(F)c(F)c1F
InChI
InChI=1S/C6H4F3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4F3N1
Molecular Weight 147.03
AlogP 1.69
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3862-73-5
NORMAN SUSDAT
PubChem 77468
ChemSpider 69877.0