bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium

C19H38F6N2O6S2 — CID 141217234

IUPACbis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
SMILESCCCCCCCCCCCC[N+](C)(CCO)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H38NO2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h19-20H,3-17H2,1-2H3;/q+1;-1
InChIKeyIXWAQRYCVHSSJZ-UHFFFAOYSA-N
MW568.64 g/mol
LogP4.40
Rot. Bonds17

About bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium

bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium (PubChem CID 141217234) has the molecular formula C19H38F6N2O6S2 and a molecular weight of 568.64 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
PubChem CID141217234
Molecular FormulaC19H38F6N2O6S2
Molecular Weight568.64 g/mol
Exact Mass568.21
IUPAC Namebis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
SMILESCCCCCCCCCCCC[N+](C)(CCO)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H38NO2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h19-20H,3-17H2,1-2H3;/q+1;-1
InChIKeyIXWAQRYCVHSSJZ-UHFFFAOYSA-N
XLogP4.40
TPSA122.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.64
LogP ≤ 54.40
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;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;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
CID 166133392
bis(2-hydroxyethyl-methyl-dioctadecylazanium);sulfate
CID 175018005
hexyl-(2-hydroxyethyl)-methyl-pentylazanium
CID 139954665
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(2-hydroxyethyl)-methyl-octadecylazanium hydroxide
CID 139772674
2-hydroxyethyl-methyl-dioctadecylazanium bromide
CID 14068061
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(2-hydroxyethyl)-methyl-octadecylazanium;dimethyl sulfate
CID 87899809

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium (CID 141217234) is bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium is CCCCCCCCCCCC[N+](C)(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-bis(2-hydroxyethyl)-methylazanium?
The InChIKey is IXWAQRYCVHSSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38NO2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h19-20H,3-17H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium?
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium has a molecular weight of 568.64 g/mol, XLogP of 4.40, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium is sourced from PubChem (CID 141217234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).