1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid

C7H15F3N2O3S — CID 171933024

IUPAC1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid
SMILESCCN1CCN(C)C1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H14N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h3-6H2,1-2H3;(H,5,6,7)
InChIKeyLOQUCRDTGKHSBC-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.61
Rot. Bonds1

About 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid

1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid (PubChem CID 171933024) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid
PubChem CID171933024
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid
SMILESCCN1CCN(C)C1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H14N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h3-6H2,1-2H3;(H,5,6,7)
InChIKeyLOQUCRDTGKHSBC-UHFFFAOYSA-N
XLogP0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid?
The IUPAC name of 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid (CID 171933024) is 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid.
What is the SMILES notation for 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid?
The canonical SMILES for 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid is CCN1CCN(C)C1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid?
The InChIKey is LOQUCRDTGKHSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h3-6H2,1-2H3;(H,5,6,7).
What are the key properties of 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid?
1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid has a molecular weight of 264.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazolidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 171933024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).