1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid

C8H17F3N2O3S — CID 162126220

IUPAC1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid
SMILESCCN1CCN(C)C1C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C7H16N2.CHF3O3S/c1-4-9-6-5-8(3)7(9)2;2-1(3,4)8(5,6)7/h7H,4-6H2,1-3H3;(H,5,6,7)
InChIKeyZIBHALCMIIEQQG-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.99
Rot. Bonds1

About 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid

1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid (PubChem CID 162126220) has the molecular formula C8H17F3N2O3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid
PubChem CID162126220
Molecular FormulaC8H17F3N2O3S
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid
SMILESCCN1CCN(C)C1C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C7H16N2.CHF3O3S/c1-4-9-6-5-8(3)7(9)2;2-1(3,4)8(5,6)7/h7H,4-6H2,1-3H3;(H,5,6,7)
InChIKeyZIBHALCMIIEQQG-UHFFFAOYSA-N
XLogP0.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid 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-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid?
The IUPAC name of 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid (CID 162126220) is 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid.
What is the SMILES notation for 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid?
The canonical SMILES for 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid is CCN1CCN(C)C1C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid?
The InChIKey is ZIBHALCMIIEQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.CHF3O3S/c1-4-9-6-5-8(3)7(9)2;2-1(3,4)8(5,6)7/h7H,4-6H2,1-3H3;(H,5,6,7).
What are the key properties of 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid?
1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid has a molecular weight of 278.30 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethylimidazolidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 162126220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).