bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium

C12H24F6N2O4S2 — CID 25172828

IUPACbis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium
SMILESCCCCCCC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H24N.C2F6NO4S2/c1-5-6-7-8-9-10-11(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-10H2,1-4H3;/q+1;-1
InChIKeyJTQJWPZFCWZEPS-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.72
Rot. Bonds8

About bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium

bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium (PubChem CID 25172828) has the molecular formula C12H24F6N2O4S2 and a molecular weight of 438.46 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium
PubChem CID25172828
Molecular FormulaC12H24F6N2O4S2
Molecular Weight438.46 g/mol
Exact Mass438.11
IUPAC Namebis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium
SMILESCCCCCCC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H24N.C2F6NO4S2/c1-5-6-7-8-9-10-11(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-10H2,1-4H3;/q+1;-1
InChIKeyJTQJWPZFCWZEPS-UHFFFAOYSA-N
XLogP3.72
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.72
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'}

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Related Compounds

Methyltricaprylylammonium bistriflamide
CID 16211009
Tributylmethylammonium bis(trifluoromethylsulfonyl)imide
CID 44630019
1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 12184311
Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991988
1-Methyl-1-propylpiperidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 16726630
1-Methyl-1-n-octylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 54613093
Hexyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991990
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
N,N,N-Trimethylpropan-1-aminium bis(trifluoromethanesulfonyl)azanide
CID 53384436
1-Hexyl-1-methylpyrrolidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 86681565
1-Methyl-1-pentylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 121234256
Triethylbutylammonium bis(trifluoromethylsulfonyl)imide
CID 121235741

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium (CID 25172828) is bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium is CCCCCCC[N+](C)(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;heptyl(trimethyl)azanium?
The InChIKey is JTQJWPZFCWZEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N.C2F6NO4S2/c1-5-6-7-8-9-10-11(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-10H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium has a molecular weight of 438.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;heptyl(trimethyl)azanium is sourced from PubChem (CID 25172828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).