Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40701160

Structure

InChI Key AZOLQBGEMLPHAI-UHFFFAOYSA-N
Smiles CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChI
InChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)12(20,21)11(18,19)9(13,14)7-8-10(15,16)17/h4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19F9O3Si
Molecular Weight 410.1
AlogP 4.82
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 27.69
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 102390-98-7
NORMAN SUSDAT