tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane

C13H21F2NO2Si — CID 59634007

IUPACtert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1cc[n+]([O-])cc1
InChIInChI=1S/C13H21F2NO2Si/c1-12(2,3)19(4,5)18-10-13(14,15)11-6-8-16(17)9-7-11/h6-9H,10H2,1-5H3
InChIKeyQIXBHOGHTJTEQH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.43
Rot. Bonds4

About tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane

tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane (PubChem CID 59634007) has the molecular formula C13H21F2NO2Si and a molecular weight of 289.40 g/mol. Its IUPAC name is tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane
PubChem CID59634007
Molecular FormulaC13H21F2NO2Si
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Nametert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1cc[n+]([O-])cc1
InChIInChI=1S/C13H21F2NO2Si/c1-12(2,3)19(4,5)18-10-13(14,15)11-6-8-16(17)9-7-11/h6-9H,10H2,1-5H3
InChIKeyQIXBHOGHTJTEQH-UHFFFAOYSA-N
XLogP3.43
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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2-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-amine
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tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
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CID 146968088
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane (CID 59634007) is tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)c1cc[n+]([O-])cc1.
What is the InChIKey of tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane?
The InChIKey is QIXBHOGHTJTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2Si/c1-12(2,3)19(4,5)18-10-13(14,15)11-6-8-16(17)9-7-11/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane?
tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane has a molecular weight of 289.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,2-difluoro-2-(1-oxidopyridin-1-ium-4-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 59634007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).