bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol

C10H18F6N2O6S2 — CID 162768224

IUPACbis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.OCC[N+]1(CCO)CCCC1
InChIInChI=1S/C8H18NO2.C2F6NO4S2/c10-7-5-9(6-8-11)3-1-2-4-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,1-8H2;/q+1;-1
InChIKeyKAUZTDBSIGCRFI-UHFFFAOYSA-N
MW440.38 g/mol
LogP0.64
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol

bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol (PubChem CID 162768224) has the molecular formula C10H18F6N2O6S2 and a molecular weight of 440.38 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol
PubChem CID162768224
Molecular FormulaC10H18F6N2O6S2
Molecular Weight440.38 g/mol
Exact Mass440.05
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.OCC[N+]1(CCO)CCCC1
InChIInChI=1S/C8H18NO2.C2F6NO4S2/c10-7-5-9(6-8-11)3-1-2-4-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,1-8H2;/q+1;-1
InChIKeyKAUZTDBSIGCRFI-UHFFFAOYSA-N
XLogP0.64
TPSA122.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
[1-Hydroxy-2-(1-methylpyrrolidin-1-ium-1-yl)ethylidene]-bis(trifluoromethylsulfonyl)azanium
CID 87777786
Ethyl(2-hydroxyethyl)-dimethylammonium bis(trifluoromethylsulfonyl)amide
CID 129707198
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
N-methoxyethyl-N-methylpyrrolidinium bis(perfluoroethanesulfonyl)imide
CID 134716505
2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 11568426
N,N-diethyl-N-2-hydroxyethyl-N-methylammonium bis(trifluoromethanesulfonyl)amide
CID 131742270
N,N,N-triethyl-N-(2-hydroxyethyl)ammonium bis(trifluoromethanesulfonyl)amide
CID 131742271
N-(2-hydroxyethyl)-N,N-dimethyl-N-propylammonium bis(trifluoromethanesulfonyl)amide
CID 131742272

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol (CID 162768224) is bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.OCC[N+]1(CCO)CCCC1.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol?
The InChIKey is KAUZTDBSIGCRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2.C2F6NO4S2/c10-7-5-9(6-8-11)3-1-2-4-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,1-8H2;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol?
bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol has a molecular weight of 440.38 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]ethanol is sourced from PubChem (CID 162768224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).