Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3JKL69Y4NV
EPA CompTox DTXSID30192644

Structure

InChI Key VGWWQZSCLBZOGK-UHFFFAOYSA-N
Smiles FC(F)(F)C=1C=CC=CC1C=C
InChI
InChI=1/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7F3
Molecular Weight 172.05
AlogP 3.35
Number of Rotational Bond 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 395-45-9
NORMAN SUSDAT
FDA SRS 3JKL69Y4NV
PubChem 2778198