bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium

C8H11F6N3O4S2 — CID 23118338

IUPACbis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium
SMILESCCc1[nH]cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H10N2.C2F6NO4S2/c1-3-6-7-4-5-8(6)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyCFFMAHZPZWPANA-UHFFFAOYSA-O
MW391.32 g/mol
LogP1.46
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium

bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium (PubChem CID 23118338) has the molecular formula C8H11F6N3O4S2 and a molecular weight of 391.32 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium
PubChem CID23118338
Molecular FormulaC8H11F6N3O4S2
Molecular Weight391.32 g/mol
Exact Mass391.01
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium
SMILESCCc1[nH]cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H10N2.C2F6NO4S2/c1-3-6-7-4-5-8(6)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyCFFMAHZPZWPANA-UHFFFAOYSA-O
XLogP1.46
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11258643
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
CID 11731903
1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 12040508
1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 21932259
1-Methylimidazole Bis(trifluoromethanesulfonyl)imide
CID 11660551
1-Butyl-3-vinylimidazolium bis(trifluoromethylsulfonyl)imide
CID 24766550
1,3-Diethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 121235090
1-Butyl-3-ethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 121235110
1-Ethyl-3-vinylimidazolium bis(trifluoromethylsulfonyl)imide
CID 121235111
1-(fluorosulfonyl)-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate
CID 134821835

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium (CID 23118338) is bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium is CCc1[nH]cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium?
The InChIKey is CFFMAHZPZWPANA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2.C2F6NO4S2/c1-3-6-7-4-5-8(6)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H,3H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium?
bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium has a molecular weight of 391.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-ethyl-3-methyl-1H-imidazol-3-ium is sourced from PubChem (CID 23118338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).