bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium

C8H11F6N3O5S2 — CID 23628825

IUPACbis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium
SMILESCOCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H11N2O.C2F6NO4S2/c1-7-3-4-8(5-7)6-9-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-5H,6H2,1-2H3;/q+1;-1
InChIKeyIJQYQTQHPYXKOE-UHFFFAOYSA-N
MW407.31 g/mol
LogP0.98
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium

bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium (PubChem CID 23628825) has the molecular formula C8H11F6N3O5S2 and a molecular weight of 407.31 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium
PubChem CID23628825
Molecular FormulaC8H11F6N3O5S2
Molecular Weight407.31 g/mol
Exact Mass407.00
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium
SMILESCOCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H11N2O.C2F6NO4S2/c1-7-3-4-8(5-7)6-9-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-5H,6H2,1-2H3;/q+1;-1
InChIKeyIJQYQTQHPYXKOE-UHFFFAOYSA-N
XLogP0.98
TPSA100.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(bis(trifluoromethylsulfonyl)azanide);bis(1-ethyl-3-methylimidazol-3-ium)
CID 139195180
bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium
CID 10411334
bis(trifluoromethylsulfonyl)azanide;8-(3-methylimidazol-3-ium-1-yl)octan-1-ol
CID 153320976
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium
CID 140963555
bis(trifluoromethylsulfonyl)azanide;1-(1,1,2,2,2-pentadeuterioethyl)-3-(trideuteriomethyl)imidazol-3-ium
CID 24899624
methyl (3-methylimidazol-3-ium-1-yl)methyl sulfate
CID 134518320
1,3-bis(butoxymethyl)imidazol-1-ium;bis(trifluoromethylsulfonyl)azanide
CID 11203210
1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)
CID 87337810
1,3-bis(nonoxymethyl)imidazol-1-ium;bis(trifluoromethylsulfonyl)azanide
CID 11456564
1,3-bis(hexoxymethyl)imidazol-1-ium;bis(trifluoromethylsulfonyl)azanide
CID 11284608
1,3-bis(decoxymethyl)imidazol-1-ium;bis(trifluoromethylsulfonyl)azanide
CID 11422569
1,3-bis(heptoxymethyl)imidazol-1-ium;bis(trifluoromethylsulfonyl)azanide
CID 11353950

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium (CID 23628825) is bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium is COCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium?
The InChIKey is IJQYQTQHPYXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O.C2F6NO4S2/c1-7-3-4-8(5-7)6-9-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-5H,6H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium?
bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium has a molecular weight of 407.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-3-methylimidazol-3-ium is sourced from PubChem (CID 23628825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).