Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40216209

Structure

InChI Key NFMHRTSRTMHNMX-UHFFFAOYSA-N
Smiles FC(F)(F)COCCC[SiH2]C(Cl)Cl
InChI
InChI=1/C6H11Cl2F3OSi/c7-5(8)13-3-1-2-12-4-6(9,10)11/h5H,1-4,13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11Cl2F3OSi
Molecular Weight 253.99
AlogP 2.3
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 9.23
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 660-23-1
NORMAN SUSDAT