Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60970831

Structure

InChI Key ZBVPABKIRWOTNJ-UHFFFAOYSA-N
Smiles FC=1C(F)=C(F)C(=C(F)C1F)[Si](N(CC)CC)(C)C
InChI
InChI=1/C12H16F5NSi/c1-5-18(6-2)19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16F5NSi
Molecular Weight 297.1
AlogP 3.14
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 55485-74-0
NORMAN SUSDAT
PubChem 2769343