Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 93U29ZRD8S
EPA CompTox DTXSID70191671

Structure

InChI Key XIVPVSIDXBTZLM-UHFFFAOYSA-N
Smiles FC(F)(F)C(=O)OCC=C
InChI
InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5F3O2
Molecular Weight 154.02
AlogP 1.28
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 383-67-5
NORMAN SUSDAT
FDA SRS 93U29ZRD8S
PubChem 67845
ChemSpider 61162.0