bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium

C11H20F6N2O6S2 — CID 141086912

IUPACbis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium
SMILESCCOCC[N+]1(C)CCOCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NO2.C2F6NO4S2/c1-3-11-7-4-10(2)5-8-12-9-6-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyPTKCXBJKBOTLPX-UHFFFAOYSA-N
MW454.41 g/mol
LogP1.56
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium

bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium (PubChem CID 141086912) has the molecular formula C11H20F6N2O6S2 and a molecular weight of 454.41 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium
PubChem CID141086912
Molecular FormulaC11H20F6N2O6S2
Molecular Weight454.41 g/mol
Exact Mass454.07
IUPAC Namebis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium
SMILESCCOCC[N+]1(C)CCOCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NO2.C2F6NO4S2/c1-3-11-7-4-10(2)5-8-12-9-6-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyPTKCXBJKBOTLPX-UHFFFAOYSA-N
XLogP1.56
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
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

Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
N-methoxyethyl-N-methylmorpholinium bis(trifluoromethylsulfonyl)imide
CID 11247660
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
N-methyl,ethyl-Morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 129830264
4-(Hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)imide
CID 129850499
Triethylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716438
N,N-bis(methoxyethyl)piperidinium bis(trifluoromethylsulfonyl)imide
CID 134716478
N-methoxyethyl-N-ethoxyethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716498
N-Ethoxymethyl-N-methylmorpholinium bis(trifluoromethylsulfonyl)imide
CID 54613447
Triethyl (2-(2-methoxyethoxy)ethoxy)ethylammonium bis(trifluoromethylsulfonyl)imide
CID 129829983

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium (CID 141086912) is bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium is CCOCC[N+]1(C)CCOCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium?
The InChIKey is PTKCXBJKBOTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2.C2F6NO4S2/c1-3-11-7-4-10(2)5-8-12-9-6-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium?
bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium has a molecular weight of 454.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;4-(2-ethoxyethyl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 141086912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).