bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium

C24H48F6N2O4S2 — CID 134159525

IUPACbis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H48N.C2F6NO4S2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-22H2,1-4H3;/q+1;-1
InChIKeyIBAIYKUBNKTXKO-UHFFFAOYSA-N
MW606.78 g/mol
LogP8.40
Rot. Bonds20

About bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium

bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium (PubChem CID 134159525) has the molecular formula C24H48F6N2O4S2 and a molecular weight of 606.78 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium
PubChem CID134159525
Molecular FormulaC24H48F6N2O4S2
Molecular Weight606.78 g/mol
Exact Mass606.30
IUPAC Namebis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H48N.C2F6NO4S2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-22H2,1-4H3;/q+1;-1
InChIKeyIBAIYKUBNKTXKO-UHFFFAOYSA-N
XLogP8.40
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.78
LogP ≤ 58.40
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'}

Analyze bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)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

Methyltricaprylylammonium bistriflamide
CID 16211009
Methyltricaprylylammonium triflate
CID 22678982
Tetrabutylammonium heptadecafluorooctanesulfonate
CID 16218638
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
1-Hexyl-1-methylpyrrolidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 86681565
N,N,N-Triethyldecan-1-aminium heptadecafluorooctane-1-sulfonate
CID 127262860

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium (CID 134159525) is bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium is CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium?
The InChIKey is IBAIYKUBNKTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N.C2F6NO4S2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-22H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium has a molecular weight of 606.78 g/mol, XLogP of 8.40, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;didecyl(dimethyl)azanium is sourced from PubChem (CID 134159525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).