bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium

C33H66F6N2O4S2 — CID 175748915

IUPACbis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C31H66N.C2F6NO4S2/c1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-31H2,1-4H3;/q+1;-1
InChIKeyQWHBNNSKJOCZGB-UHFFFAOYSA-N
MW733.02 g/mol
LogP11.91
Rot. Bonds29

About bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium

bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium (PubChem CID 175748915) has the molecular formula C33H66F6N2O4S2 and a molecular weight of 733.02 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
PubChem CID175748915
Molecular FormulaC33H66F6N2O4S2
Molecular Weight733.02 g/mol
Exact Mass732.44
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C31H66N.C2F6NO4S2/c1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-31H2,1-4H3;/q+1;-1
InChIKeyQWHBNNSKJOCZGB-UHFFFAOYSA-N
XLogP11.91
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.02
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
CID 166133392
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium
CID 153323838
ethanesulfonic acid;tridodecyl(methyl)azanium
CID 87092522
bis(trifluoromethylsulfonyl)azanide;triheptylazanium
CID 134716538
iridium;methyl-pentyl-dipropylazanium;bis(trifluoromethanesulfonate)
CID 160744281

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium (CID 175748915) is bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium is CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium?
The InChIKey is QWHBNNSKJOCZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H66N.C2F6NO4S2/c1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-31H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium?
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium has a molecular weight of 733.02 g/mol, XLogP of 11.91, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium is sourced from PubChem (CID 175748915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).