Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9057769

Structure

InChI Key TWLDBACVSHADLI-UHFFFAOYSA-N
Smiles FC(F)(F)C=1C=CC=C(N)C1C
InChI
InChI=1/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8F3N
Molecular Weight 175.06
AlogP 2.6
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 54396-44-0
NORMAN SUSDAT
PubChem 2735932