bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium

C42H84F6N2O4S2 — CID 134716562

IUPACbis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium
SMILESCCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C40H84N.C2F6NO4S2/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-40H2,1-4H3;/q+1;-1
InChIKeyCTWRVZMJTNJBBT-UHFFFAOYSA-N
MW859.27 g/mol
LogP15.43
Rot. Bonds38

About bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium

bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium (PubChem CID 134716562) has the molecular formula C42H84F6N2O4S2 and a molecular weight of 859.27 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium
PubChem CID134716562
Molecular FormulaC42H84F6N2O4S2
Molecular Weight859.27 g/mol
Exact Mass858.58
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium
SMILESCCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C40H84N.C2F6NO4S2/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-40H2,1-4H3;/q+1;-1
InChIKeyCTWRVZMJTNJBBT-UHFFFAOYSA-N
XLogP15.43
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.27
LogP ≤ 515.43
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

Methyltricaprylylammonium bistriflamide
CID 16211009
Methyltricaprylylammonium triflate
CID 22678982
1-Decanaminium, N-decyl-N,N-dimethyl-, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate (1:1)
CID 92038711
Tetrabutylammonium bis-trifluoromethanesulfonimidate
CID 16218632
1-Methyl-1-n-octylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 54613093
N,N,N-Tripropylpentan-1-aminium heptadecafluorooctane-1-sulfonate
CID 21418851
N-Methyl-N,N-dioctyl-1-octanaminium perfluoro-1-butanesulfonate
CID 22678981
Hexyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991990
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
N,N,N-Triethyldecan-1-aminium heptadecafluorooctane-1-sulfonate
CID 127262860
Triethyloctylammonium bis(trifluoromethylsulfonyl)imide
CID 121235740
Hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 121235739

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium (CID 134716562) is bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium is CCCCCCCCCC[N+](CCCCCCCCCC)(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;tetrakis-decylazanium?
The InChIKey is CTWRVZMJTNJBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H84N.C2F6NO4S2/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-40H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium?
bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium has a molecular weight of 859.27 g/mol, XLogP of 15.43, 38 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tetrakis-decylazanium is sourced from PubChem (CID 134716562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).