5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine

C11H16F2N3OSi+ — CID 58303525

IUPAC5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine
SMILESC[Si](C)(C)C#Cc1cnc(OCC(F)F)c[n+]1N
InChIInChI=1S/C11H16F2N3OSi/c1-18(2,3)5-4-9-6-15-11(7-16(9)14)17-8-10(12)13/h6-7,10H,8H2,1-3H3,(H2,14,15)/q+1
InChIKeyJSXYQELHEVLNPK-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.96
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine

5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine (PubChem CID 58303525) has the molecular formula C11H16F2N3OSi+ and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine
PubChem CID58303525
Molecular FormulaC11H16F2N3OSi+
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine
SMILESC[Si](C)(C)C#Cc1cnc(OCC(F)F)c[n+]1N
InChIInChI=1S/C11H16F2N3OSi/c1-18(2,3)5-4-9-6-15-11(7-16(9)14)17-8-10(12)13/h6-7,10H,8H2,1-3H3,(H2,14,15)/q+1
InChIKeyJSXYQELHEVLNPK-UHFFFAOYSA-N
XLogP0.96
TPSA52.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine (CID 58303525) is 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine is C[Si](C)(C)C#Cc1cnc(OCC(F)F)c[n+]1N.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine?
The InChIKey is JSXYQELHEVLNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N3OSi/c1-18(2,3)5-4-9-6-15-11(7-16(9)14)17-8-10(12)13/h6-7,10H,8H2,1-3H3,(H2,14,15)/q+1.
What are the key properties of 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine?
5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine has a molecular weight of 272.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-(2-trimethylsilylethynyl)pyrazin-1-ium-1-amine is sourced from PubChem (CID 58303525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).