Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60881332

Structure

InChI Key RDUGZRZKLLEFFJ-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl
InChI
InChI=1S/C5Cl2F10O/c6-2(10,11)3(7,12)18-5(16,17)1(8,9)4(13,14)15

Physicochemical Descriptors

Property Name Value
Molecular Formula C5Cl2F10O1
Molecular Weight 335.92
AlogP 4.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 106372-30-9
NORMAN SUSDAT
PubChem 10042673
ChemSpider 8218237.0