1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide

C12H22F6N2O6S2 — CID 134716461

IUPAC1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide
SMILESCOCC[N+]1(CCOC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22NO2.C2F6NO4S2/c1-12-9-7-11(8-10-13-2)5-3-4-6-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1
InChIKeyUCWWHCCTHDFHLG-UHFFFAOYSA-N
MW468.44 g/mol
LogP1.95
Rot. Bonds8

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

1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide (PubChem CID 134716461) has the molecular formula C12H22F6N2O6S2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide
PubChem CID134716461
Molecular FormulaC12H22F6N2O6S2
Molecular Weight468.44 g/mol
Exact Mass468.08
IUPAC Name1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide
SMILESCOCC[N+]1(CCOC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22NO2.C2F6NO4S2/c1-12-9-7-11(8-10-13-2)5-3-4-6-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1
InChIKeyUCWWHCCTHDFHLG-UHFFFAOYSA-N
XLogP1.95
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
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)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 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
The IUPAC name of 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide (CID 134716461) is 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide is COCC[N+]1(CCOC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
The InChIKey is UCWWHCCTHDFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO2.C2F6NO4S2/c1-12-9-7-11(8-10-13-2)5-3-4-6-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1.
What are the key properties of 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide has a molecular weight of 468.44 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)pyrrolidin-1-ium;bis(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 134716461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).