bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium

C18H36F6N2O5S2 — CID 134716520

IUPACbis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CCOCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H36NO.C2F6NO4S2/c1-5-9-12-17(13-10-6-2,14-11-7-3)15-16-18-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1
InChIKeyVGBHZSJCFSVDPO-UHFFFAOYSA-N
MW538.62 g/mol
LogP5.30
Rot. Bonds15

About bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium

bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium (PubChem CID 134716520) has the molecular formula C18H36F6N2O5S2 and a molecular weight of 538.62 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium
PubChem CID134716520
Molecular FormulaC18H36F6N2O5S2
Molecular Weight538.62 g/mol
Exact Mass538.20
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CCOCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H36NO.C2F6NO4S2/c1-5-9-12-17(13-10-6-2,14-11-7-3)15-16-18-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1
InChIKeyVGBHZSJCFSVDPO-UHFFFAOYSA-N
XLogP5.30
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.62
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
1-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
N-methyl,butyl-morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 87375760
N-methoxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 121235361
Triethylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716438
N,N-bis(methoxyethyl)pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716461
N,N-bis(methoxyethyl)piperidinium bis(trifluoromethylsulfonyl)imide
CID 134716478
N-methoxyethyl-N-ethoxyethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716498
1-Ethoxyethyl-1-methylpyrrolidinium Bis (trifluoromethylsulfonyl)imide
CID 54613092
Triethyl (2-(2-methoxyethoxy)ethoxy)ethylammonium bis(trifluoromethylsulfonyl)imide
CID 129829983
Ethylcholine bis(trifluoromethylsulfonyl)imide
CID 129844255

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium (CID 134716520) is bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium is CCCC[N+](CCCC)(CCCC)CCOCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium?
The InChIKey is VGBHZSJCFSVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO.C2F6NO4S2/c1-5-9-12-17(13-10-6-2,14-11-7-3)15-16-18-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium has a molecular weight of 538.62 g/mol, XLogP of 5.30, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tributyl(2-ethoxyethyl)azanium is sourced from PubChem (CID 134716520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).