bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium

C13H26F6N2O5S2 — CID 142684480

IUPACbis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium
SMILESCCCC[N+](CC)(CC)CCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H26NO.C2F6NO4S2/c1-5-8-9-12(6-2,7-3)10-11-13-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;/q+1;-1
InChIKeyWAFRTTQNDNKVIB-UHFFFAOYSA-N
MW468.48 g/mol
LogP3.35
Rot. Bonds10

About bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium

bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium (PubChem CID 142684480) has the molecular formula C13H26F6N2O5S2 and a molecular weight of 468.48 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium
PubChem CID142684480
Molecular FormulaC13H26F6N2O5S2
Molecular Weight468.48 g/mol
Exact Mass468.12
IUPAC Namebis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium
SMILESCCCC[N+](CC)(CC)CCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H26NO.C2F6NO4S2/c1-5-8-9-12(6-2,7-3)10-11-13-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;/q+1;-1
InChIKeyWAFRTTQNDNKVIB-UHFFFAOYSA-N
XLogP3.35
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
1-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
Ethyl(3-methoxypropyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 132274878
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-methoxyethyl-N-methylpyrrolidinium trifluoromethanesulfonate
CID 122553764
N-methyl,ethyl-Morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 129830264
Triethylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716438
N-(2-methoxyethyl)-N-methylazepanium bis(trifluoromethylsulfonyl)amide
CID 134716440
N,N-bis(methoxyethyl)pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716461

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium (CID 142684480) is bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium is CCCC[N+](CC)(CC)CCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium?
The InChIKey is WAFRTTQNDNKVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO.C2F6NO4S2/c1-5-8-9-12(6-2,7-3)10-11-13-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium has a molecular weight of 468.48 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;butyl-diethyl-(2-methoxyethyl)azanium is sourced from PubChem (CID 142684480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).