Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40379666

Structure

InChI Key CMXKINNDZCNCEI-UHFFFAOYSA-N
Smiles CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)[Si](C)(C)C
InChI
InChI=1S/C8H12F7NOSi/c1-16(18(2,3)4)5(17)6(9,10)7(11,12)8(13,14)15/h1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12F7NOSi
Molecular Weight 299.06
AlogP 3.11
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 53296-64-3
NORMAN SUSDAT