bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium

C11H20F6N2O5S2 — CID 87375760

IUPACbis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium
SMILESCCCC[N+]1(C)CCOCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NO.C2F6NO4S2/c1-3-4-5-10(2)6-8-11-9-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyHOZRXKYFIZZUAR-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.32
Rot. Bonds5

About bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium

bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium (PubChem CID 87375760) has the molecular formula C11H20F6N2O5S2 and a molecular weight of 438.41 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium
PubChem CID87375760
Molecular FormulaC11H20F6N2O5S2
Molecular Weight438.41 g/mol
Exact Mass438.07
IUPAC Namebis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium
SMILESCCCC[N+]1(C)CCOCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NO.C2F6NO4S2/c1-3-4-5-10(2)6-8-11-9-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyHOZRXKYFIZZUAR-UHFFFAOYSA-N
XLogP2.32
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
1-(3-Methoxypropyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 54613449
N-methoxyethyl-N-methylmorpholinium bis(trifluoromethylsulfonyl)imide
CID 11247660
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
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
N-hydroxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716397
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

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium (CID 87375760) is bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium is CCCC[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-butyl-4-methylmorpholin-4-ium?
The InChIKey is HOZRXKYFIZZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO.C2F6NO4S2/c1-3-4-5-10(2)6-8-11-9-7-10;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-butyl-4-methylmorpholin-4-ium?
bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium has a molecular weight of 438.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;4-butyl-4-methylmorpholin-4-ium is sourced from PubChem (CID 87375760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).