bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium

C12H18F10N2O5S2 — CID 134716505

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
SMILESCOCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H18NO.C4F10NO4S2/c1-9(7-8-10-2)5-3-4-6-9;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h3-8H2,1-2H3;/q+1;-1
InChIKeyUCITXQDGWDHAMZ-UHFFFAOYSA-N
MW524.40 g/mol
LogP3.20
Rot. Bonds7

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

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium (PubChem CID 134716505) has the molecular formula C12H18F10N2O5S2 and a molecular weight of 524.40 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
PubChem CID134716505
Molecular FormulaC12H18F10N2O5S2
Molecular Weight524.40 g/mol
Exact Mass524.05
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
SMILESCOCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H18NO.C4F10NO4S2/c1-9(7-8-10-2)5-3-4-6-9;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h3-8H2,1-2H3;/q+1;-1
InChIKeyUCITXQDGWDHAMZ-UHFFFAOYSA-N
XLogP3.20
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
N-methoxyethyl-N-methylpyrrolidinium trifluoromethanesulfonate
CID 122553764
N-(2-hydroxyethyl)-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide
CID 131742275
N,N-bis(methoxyethyl)pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716461
1-Ethoxyethyl-1-methylpyrrolidinium Bis (trifluoromethylsulfonyl)imide
CID 54613092
N-methoxyethyl-N-ethoxyethylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716487
Tributylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716520
Sodium;bis(bis(trifluoromethylsulfonyl)azanide);1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium
CID 139044709
1-(methoxymethyl)-1-methylpyrrolidin-1-ium;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659691
N-methoxymethyl-N-methylpyrrolidinium bis(pentafluoroethanesulfonyl)imide
CID 131728535
1-(2-ethoxyethyl)-1-methylpyrrolidin-1-ium;1,1,1-trifluoro-N-(trifluoromethyl)methanesulfonimidate
CID 140000342
Bis(trifluoromethylsulfonyl)azanide;1-(ethoxymethyl)-1-methylpyrrolidin-1-ium
CID 140069739

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium (CID 134716505) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium is COCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
The InChIKey is UCITXQDGWDHAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.C4F10NO4S2/c1-9(7-8-10-2)5-3-4-6-9;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium has a molecular weight of 524.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 134716505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).