bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium

C16H32F6N2O4S2 — CID 156613289

IUPACbis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium
SMILESCCCCCCCCCCCC[NH+](C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H31N.C2F6NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-14H2,1-3H3;/q;-1/p+1
InChIKeyXUBKMLZCJLXZHH-UHFFFAOYSA-O
MW494.56 g/mol
LogP4.11
Rot. Bonds13

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

bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium (PubChem CID 156613289) has the molecular formula C16H32F6N2O4S2 and a molecular weight of 494.56 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium
PubChem CID156613289
Molecular FormulaC16H32F6N2O4S2
Molecular Weight494.56 g/mol
Exact Mass494.17
IUPAC Namebis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium
SMILESCCCCCCCCCCCC[NH+](C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H31N.C2F6NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-14H2,1-3H3;/q;-1/p+1
InChIKeyXUBKMLZCJLXZHH-UHFFFAOYSA-O
XLogP4.11
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyltricaprylylammonium bistriflamide
CID 16211009
1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, sulfate (2:1)
CID 112402
Triethyloctylammonium bis(trifluoromethylsulfonyl)imide
CID 121235740
Hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 121235739
Tetraoctylammonium bis(trifluoromethylsulfonyl)imide
CID 11181779
Trimethyloctylammonium bis[(trifluoromethyl)sulfonyl]imide
CID 25171606
Tri-n-butyl-n-heptylammonium bis(trifluoromethylsulfonyl) amide
CID 25173211
Tri-n-butyl-n-octylammonium bis(trifluoromethylsulfonyl) amide
CID 87089604
Trimethyldecylammonium bis[(trifluoromethyl)sulfonyl]imide
CID 129853801
Didecyldimethylammonium bis(trifluoromethylsulfonyl)imide
CID 134159525
Tetra-n-decylammonium bis(trifluoromethylsulfonyl) amide
CID 134716562
Trioctylammonium bis(trifluoromethylsulfonyl)imide
CID 87764843

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium (CID 156613289) is bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium is CCCCCCCCCCCC[NH+](C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium?
The InChIKey is XUBKMLZCJLXZHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H31N.C2F6NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-14H2,1-3H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium has a molecular weight of 494.56 g/mol, XLogP of 4.11, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;dodecyl(dimethyl)azanium is sourced from PubChem (CID 156613289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).