Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 38ZUP9U3KJ
EPA CompTox DTXSID9060106

Structure

InChI Key DVCMYAIUSOSIQP-UHFFFAOYSA-N
Smiles FC(F)(F)C(=O)Oc1ccccc1
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5F3O2
Molecular Weight 190.02
AlogP 2.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 500-73-2
NORMAN SUSDAT
FDA SRS 38ZUP9U3KJ
PubChem 68143
ChemSpider 61451.0