bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium

C12H24F6N2O5S2 — CID 134716438

IUPACbis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium
SMILESCCOCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H24NO.C2F6NO4S2/c1-5-11(6-2,7-3)9-10-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-10H2,1-4H3;/q+1;-1
InChIKeyHJJGAFJOQABCJU-UHFFFAOYSA-N
MW454.46 g/mol
LogP2.96
Rot. Bonds9

About bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium

bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium (PubChem CID 134716438) has the molecular formula C12H24F6N2O5S2 and a molecular weight of 454.46 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium
PubChem CID134716438
Molecular FormulaC12H24F6N2O5S2
Molecular Weight454.46 g/mol
Exact Mass454.10
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium
SMILESCCOCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H24NO.C2F6NO4S2/c1-5-11(6-2,7-3)9-10-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-10H2,1-4H3;/q+1;-1
InChIKeyHJJGAFJOQABCJU-UHFFFAOYSA-N
XLogP2.96
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-methylpyrrolidin-1-ium
CID 54613092
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
2-ethoxyethyl(triethyl)azanium;ethyl carbonate
CID 167445600
bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
CID 166133392
tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
2-ethoxyethyl-diethyl-propylazanium bromide
CID 167445603
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium (CID 134716438) is bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium is CCOCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium?
The InChIKey is HJJGAFJOQABCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO.C2F6NO4S2/c1-5-11(6-2,7-3)9-10-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-10H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium has a molecular weight of 454.46 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium is sourced from PubChem (CID 134716438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).