1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium

C8H10F3N2O2S+ — CID 158765875

IUPAC1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium
SMILESC=Cn1cc[n+](CC)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N2O2S/c1-3-12-5-6-13(4-2)7(12)16(14,15)8(9,10)11/h3,5-6H,1,4H2,2H3/q+1
InChIKeyCPKFQCAVWMORKU-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.19
Rot. Bonds3

About 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium

1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium (PubChem CID 158765875) has the molecular formula C8H10F3N2O2S+ and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium.

Molecular Properties

Compound Name1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium
PubChem CID158765875
Molecular FormulaC8H10F3N2O2S+
Molecular Weight255.24 g/mol
Exact Mass255.04
IUPAC Name1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium
SMILESC=Cn1cc[n+](CC)c1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N2O2S/c1-3-12-5-6-13(4-2)7(12)16(14,15)8(9,10)11/h3,5-6H,1,4H2,2H3/q+1
InChIKeyCPKFQCAVWMORKU-UHFFFAOYSA-N
XLogP1.19
TPSA42.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium?
The IUPAC name of 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium (CID 158765875) is 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium.
What is the SMILES notation for 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium?
The canonical SMILES for 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium is C=Cn1cc[n+](CC)c1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium?
The InChIKey is CPKFQCAVWMORKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N2O2S/c1-3-12-5-6-13(4-2)7(12)16(14,15)8(9,10)11/h3,5-6H,1,4H2,2H3/q+1.
What are the key properties of 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium?
1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium has a molecular weight of 255.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyl-2-(trifluoromethylsulfonyl)imidazol-3-ium is sourced from PubChem (CID 158765875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).