2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid

C9H15F3N2O4S — CID 171930033

IUPAC2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid
SMILESCCOCCc1nccn1C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C8H14N2O.CHF3O3S/c1-3-11-7-4-8-9-5-6-10(8)2;2-1(3,4)8(5,6)7/h5-6H,3-4,7H2,1-2H3;(H,5,6,7)
InChIKeyKQSGSZPJJFPFRZ-UHFFFAOYSA-N
MW304.29 g/mol
LogP1.39
Rot. Bonds4

About 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid

2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid (PubChem CID 171930033) has the molecular formula C9H15F3N2O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid
PubChem CID171930033
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC Name2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid
SMILESCCOCCc1nccn1C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C8H14N2O.CHF3O3S/c1-3-11-7-4-8-9-5-6-10(8)2;2-1(3,4)8(5,6)7/h5-6H,3-4,7H2,1-2H3;(H,5,6,7)
InChIKeyKQSGSZPJJFPFRZ-UHFFFAOYSA-N
XLogP1.39
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-3-methylimidazolium trifluoromethanesulfonate
CID 2734246
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 12040508
1-Ethyl-2,3-dimethylimidazolium triflate
CID 16210995
1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 21932259
Nsc-747123
CID 12040511
1-Butyl-3-ethylimidazolium trifluoromethane sulfonate
CID 87169316
1-Ethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 121235109
N-[3-(2,3-dimethylimidazol-3-ium-1-yl)propyl]-1,1,1-trifluoro-N-methylmethanesulfonamide chloride
CID 14868946
Imidazole13nmethyltrifluoromethylsulfonamidoprop
CID 136001969

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid?
The IUPAC name of 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid (CID 171930033) is 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid.
What is the SMILES notation for 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid?
The canonical SMILES for 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid is CCOCCc1nccn1C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid?
The InChIKey is KQSGSZPJJFPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.CHF3O3S/c1-3-11-7-4-8-9-5-6-10(8)2;2-1(3,4)8(5,6)7/h5-6H,3-4,7H2,1-2H3;(H,5,6,7).
What are the key properties of 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid?
2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid has a molecular weight of 304.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1-methylimidazole;trifluoromethanesulfonic acid is sourced from PubChem (CID 171930033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).