Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50233048

Structure

InChI Key HLZZKBZAPCCVIE-UHFFFAOYSA-N
Smiles FC(F)(Cl)C(F)(F)C(=O)OC=C
InChI
InChI=1S/C5H3ClF4O2/c1-2-12-3(11)4(7,8)5(6,9)10/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3Cl1F4O2
Molecular Weight 205.98
AlogP 2.14
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 84145-19-7
NORMAN SUSDAT
PubChem 3019708
ChemSpider 2286809.0