bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane

C17H28F6N2O7S2Si — CID 171058218

IUPACbis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane
SMILESCCO[Si](CCC[n+]1cccc(C)c1)(OCC)OCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H28NO3Si.C2F6NO4S2/c1-5-17-20(18-6-2,19-7-3)13-9-12-16-11-8-10-15(4)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8,10-11,14H,5-7,9,12-13H2,1-4H3;/q+1;-1
InChIKeyLYFWYVUTUIEOFS-UHFFFAOYSA-N
MW578.63 g/mol
LogP3.78
Rot. Bonds12

About bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane

bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane (PubChem CID 171058218) has the molecular formula C17H28F6N2O7S2Si and a molecular weight of 578.63 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane
PubChem CID171058218
Molecular FormulaC17H28F6N2O7S2Si
Molecular Weight578.63 g/mol
Exact Mass578.10
IUPAC Namebis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane
SMILESCCO[Si](CCC[n+]1cccc(C)c1)(OCC)OCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H28NO3Si.C2F6NO4S2/c1-5-17-20(18-6-2,19-7-3)13-9-12-16-11-8-10-15(4)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8,10-11,14H,5-7,9,12-13H2,1-4H3;/q+1;-1
InChIKeyLYFWYVUTUIEOFS-UHFFFAOYSA-N
XLogP3.78
TPSA113.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.63
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane (CID 171058218) is bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane is CCO[Si](CCC[n+]1cccc(C)c1)(OCC)OCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane?
The InChIKey is LYFWYVUTUIEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NO3Si.C2F6NO4S2/c1-5-17-20(18-6-2,19-7-3)13-9-12-16-11-8-10-15(4)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8,10-11,14H,5-7,9,12-13H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane?
bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane has a molecular weight of 578.63 g/mol, XLogP of 3.78, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;triethoxy-[3-(3-methylpyridin-1-ium-1-yl)propyl]silane is sourced from PubChem (CID 171058218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).