bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium

C11H24F6N2O10S2Si — CID 168975375

IUPACbis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium
SMILESCO[N+](CCC[Si](OC)(OC)OC)(OC)OC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H24NO6Si.C2F6NO4S2/c1-11-10(12-2,13-3)8-7-9-17(14-4,15-5)16-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-9H2,1-6H3;/q+1;-1
InChIKeyNLSCGUPXPJUTHL-UHFFFAOYSA-N
MW550.53 g/mol
LogP1.81
Rot. Bonds12

About bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium

bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium (PubChem CID 168975375) has the molecular formula C11H24F6N2O10S2Si and a molecular weight of 550.53 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium
PubChem CID168975375
Molecular FormulaC11H24F6N2O10S2Si
Molecular Weight550.53 g/mol
Exact Mass550.05
IUPAC Namebis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium
SMILESCO[N+](CCC[Si](OC)(OC)OC)(OC)OC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H24NO6Si.C2F6NO4S2/c1-11-10(12-2,13-3)8-7-9-17(14-4,15-5)16-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-9H2,1-6H3;/q+1;-1
InChIKeyNLSCGUPXPJUTHL-UHFFFAOYSA-N
XLogP1.81
TPSA137.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.53
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium (CID 168975375) is bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium is CO[N+](CCC[Si](OC)(OC)OC)(OC)OC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium?
The InChIKey is NLSCGUPXPJUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24NO6Si.C2F6NO4S2/c1-11-10(12-2,13-3)8-7-9-17(14-4,15-5)16-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-9H2,1-6H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium?
bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium has a molecular weight of 550.53 g/mol, XLogP of 1.81, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 168975375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).