bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium

C20H40F6N2O6S2 — CID 166133392

IUPACbis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCC[N+](CC)(CCO)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H40NO2.C2F6NO4S2/c1-3-5-6-7-8-9-10-11-12-13-14-19(4-2,15-17-20)16-18-21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h20-21H,3-18H2,1-2H3;/q+1;-1
InChIKeyXZVGPAWCXDAYDW-UHFFFAOYSA-N
MW582.67 g/mol
LogP4.79
Rot. Bonds18

About bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium

bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium (PubChem CID 166133392) has the molecular formula C20H40F6N2O6S2 and a molecular weight of 582.67 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
PubChem CID166133392
Molecular FormulaC20H40F6N2O6S2
Molecular Weight582.67 g/mol
Exact Mass582.22
IUPAC Namebis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCC[N+](CC)(CCO)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H40NO2.C2F6NO4S2/c1-3-5-6-7-8-9-10-11-12-13-14-19(4-2,15-17-20)16-18-21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h20-21H,3-18H2,1-2H3;/q+1;-1
InChIKeyXZVGPAWCXDAYDW-UHFFFAOYSA-N
XLogP4.79
TPSA122.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.67
LogP ≤ 54.79
H-Bond Donors ≤ 52
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

bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
CID 175748915
bis(trifluoromethylsulfonyl)azanide;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium
CID 153323838
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
bis(hexadecyl-tris(2-hydroxyethyl)azanium);sulfate
CID 139970602
bis(trifluoromethylsulfonyl)phosphane;triethyl(heptyl)azanium
CID 171922946
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium (CID 166133392) is bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium is CCCCCCCCCCCC[N+](CC)(CCO)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium?
The InChIKey is XZVGPAWCXDAYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO2.C2F6NO4S2/c1-3-5-6-7-8-9-10-11-12-13-14-19(4-2,15-17-20)16-18-21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h20-21H,3-18H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium has a molecular weight of 582.67 g/mol, XLogP of 4.79, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium is sourced from PubChem (CID 166133392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).