Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 26DEB00BBW
EPA CompTox DTXSID60962534

Structure

InChI Key KKXBMWAROXAWSZ-UHFFFAOYSA-N
Smiles FC(Cl)C(F)(F)OC
InChI
InChI=1/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4ClF3O
Molecular Weight 147.99
AlogP 1.76
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 425-87-6
NORMAN SUSDAT
FDA SRS 26DEB00BBW
PubChem 9877