1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)

C8H15F6N4O4S2+ — CID 87337810

IUPAC1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)
SMILESCCn1cc[n+](C)c1.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11N2.2CH2F3NO2S/c1-3-8-5-4-7(2)6-8;2*2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;2*(H2,5,6,7)/q+1;;
InChIKeyUVHZCISQDWONOR-UHFFFAOYSA-N
MW409.35 g/mol
LogP-0.08
Rot. Bonds1

About 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)

1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide) (PubChem CID 87337810) has the molecular formula C8H15F6N4O4S2+ and a molecular weight of 409.35 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide).

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)
PubChem CID87337810
Molecular FormulaC8H15F6N4O4S2+
Molecular Weight409.35 g/mol
Exact Mass409.04
IUPAC Name1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)
SMILESCCn1cc[n+](C)c1.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11N2.2CH2F3NO2S/c1-3-8-5-4-7(2)6-8;2*2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;2*(H2,5,6,7)/q+1;;
InChIKeyUVHZCISQDWONOR-UHFFFAOYSA-N
XLogP-0.08
TPSA129.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide) (CID 87337810) is 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide).
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide) is CCn1cc[n+](C)c1.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)?
The InChIKey is UVHZCISQDWONOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.2CH2F3NO2S/c1-3-8-5-4-7(2)6-8;2*2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;2*(H2,5,6,7)/q+1;;.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)?
1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide) has a molecular weight of 409.35 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide) is sourced from PubChem (CID 87337810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).