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

C13H24F6N2O6S2 — CID 134716487

IUPACbis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium
SMILESCCOCC[N+]1(CCOC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H24NO2.C2F6NO4S2/c1-3-14-11-9-12(8-10-13-2)6-4-5-7-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;/q+1;-1
InChIKeyBVKJVRYBLLRRFJ-UHFFFAOYSA-N
MW482.47 g/mol
LogP2.34
Rot. Bonds9

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

bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium (PubChem CID 134716487) has the molecular formula C13H24F6N2O6S2 and a molecular weight of 482.47 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium
PubChem CID134716487
Molecular FormulaC13H24F6N2O6S2
Molecular Weight482.47 g/mol
Exact Mass482.10
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium
SMILESCCOCC[N+]1(CCOC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H24NO2.C2F6NO4S2/c1-3-14-11-9-12(8-10-13-2)6-4-5-7-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;/q+1;-1
InChIKeyBVKJVRYBLLRRFJ-UHFFFAOYSA-N
XLogP2.34
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
1-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
N-methyl,butyl-morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 87375760
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-methoxyethyl-N-ethoxyethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716498
1-Ethoxyethyl-1-methylpyrrolidinium Bis (trifluoromethylsulfonyl)imide
CID 54613092
Ethylcholine bis(trifluoromethylsulfonyl)imide
CID 129844255
N-methoxyethyl-N-methylpyrrolidinium bis(perfluoroethanesulfonyl)imide
CID 134716505

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium (CID 134716487) is bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium is CCOCC[N+]1(CCOC)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-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium?
The InChIKey is BVKJVRYBLLRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2.C2F6NO4S2/c1-3-14-11-9-12(8-10-13-2)6-4-5-7-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium has a molecular weight of 482.47 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-(2-methoxyethyl)pyrrolidin-1-ium is sourced from PubChem (CID 134716487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).