bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium

C10H18F6N2O5S2 — CID 56972931

IUPACbis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
SMILESCOCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18NO.C2F6NO4S2/c1-9(7-8-10-2)5-3-4-6-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
InChIKeyNLMPZJBZQUPZSN-UHFFFAOYSA-N
MW424.39 g/mol
LogP1.93
Rot. Bonds5

About bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium (PubChem CID 56972931) has the molecular formula C10H18F6N2O5S2 and a molecular weight of 424.39 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
PubChem CID56972931
Molecular FormulaC10H18F6N2O5S2
Molecular Weight424.39 g/mol
Exact Mass424.06
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
SMILESCOCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18NO.C2F6NO4S2/c1-9(7-8-10-2)5-3-4-6-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
InChIKeyNLMPZJBZQUPZSN-UHFFFAOYSA-N
XLogP1.93
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
1-(2-Methoxyethyl)-1-methylpyrrolidinium Bis(fluorosulfonyl)imide
CID 132274865
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
N-methyl,butyl-morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 87375760
N-methoxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 121235361
N-methoxyethyl-N-methylpyrrolidinium trifluoromethanesulfonate
CID 122553764
N-(2-hydroxyethyl)-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide
CID 131742275
Triethylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716438
N,N-bis(methoxyethyl)pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716461
N,N-bis(methoxyethyl)piperidinium bis(trifluoromethylsulfonyl)imide
CID 134716478
1-Ethoxyethyl-1-methylpyrrolidinium Bis (trifluoromethylsulfonyl)imide
CID 54613092
N-methoxyethyl-N-ethoxyethylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716487

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium (CID 56972931) is bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium is COCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
The InChIKey is NLMPZJBZQUPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.C2F6NO4S2/c1-9(7-8-10-2)5-3-4-6-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium has a molecular weight of 424.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 56972931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).