Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80235136

Structure

InChI Key BVQYIDJXNYHKRK-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC
InChI
InChI=1/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13F13O3Si
Molecular Weight 468.04
AlogP 4.99
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 27.69
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 85857-16-5
NORMAN SUSDAT
PubChem 2776334