2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one

C15H24F3NO2Si — CID 101453258

IUPAC2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one
SMILESCC(C)(C)c1[nH]c(C(F)(F)F)cc(=O)c1OCC[Si](C)(C)C
InChIInChI=1S/C15H24F3NO2Si/c1-14(2,3)13-12(21-7-8-22(4,5)6)10(20)9-11(19-13)15(16,17)18/h9H,7-8H2,1-6H3,(H,19,20)
InChIKeyFATFLOSLIJGVPL-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.41
Rot. Bonds4

About 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one

2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one (PubChem CID 101453258) has the molecular formula C15H24F3NO2Si and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one
PubChem CID101453258
Molecular FormulaC15H24F3NO2Si
Molecular Weight335.44 g/mol
Exact Mass335.15
IUPAC Name2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one
SMILESCC(C)(C)c1[nH]c(C(F)(F)F)cc(=O)c1OCC[Si](C)(C)C
InChIInChI=1S/C15H24F3NO2Si/c1-14(2,3)13-12(21-7-8-22(4,5)6)10(20)9-11(19-13)15(16,17)18/h9H,7-8H2,1-6H3,(H,19,20)
InChIKeyFATFLOSLIJGVPL-UHFFFAOYSA-N
XLogP4.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one (CID 101453258) is 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one is CC(C)(C)c1[nH]c(C(F)(F)F)cc(=O)c1OCC[Si](C)(C)C.
What is the InChIKey of 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one?
The InChIKey is FATFLOSLIJGVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2Si/c1-14(2,3)13-12(21-7-8-22(4,5)6)10(20)9-11(19-13)15(16,17)18/h9H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one?
2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one has a molecular weight of 335.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 101453258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).