Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70241206

Structure

InChI Key JCXUMXSOKCFWQJ-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(C)C
InChI
InChI=1/C11H13F13OSi/c1-25-26(2,3)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 C11H13F13OSi
Molecular Weight 436.05
AlogP 5.97
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 9.23
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 94237-08-8
NORMAN SUSDAT
PubChem 3024106