Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50241204

Structure

InChI Key YFBVNTASMGOUJT-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(O[Si](C)(C)C)O[Si](C)(C)C
InChI
InChI=1/C14H22ClF13O2Si3/c1-31(2,3)29-33(15,30-32(4,5)6)8-7-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h7-8H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22ClF13O2Si3
Molecular Weight 588.04
AlogP 8.0
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 18.46
Heavy Atoms 33.0

Cross References

Resources Reference
CAS NUMBER 94237-06-6
NORMAN SUSDAT
PubChem 44146719