1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole

C7H9F3N2O — CID 58450262

IUPAC1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole
SMILESCOC(c1cncn1C)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-4-11-3-5(12)6(13-2)7(8,9)10/h3-4,6H,1-2H3
InChIKeyYYJFDIRBVYWMPX-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.67
Rot. Bonds2

About 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole

1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole (PubChem CID 58450262) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole
PubChem CID58450262
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole
SMILESCOC(c1cncn1C)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-4-11-3-5(12)6(13-2)7(8,9)10/h3-4,6H,1-2H3
InChIKeyYYJFDIRBVYWMPX-UHFFFAOYSA-N
XLogP1.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole (CID 58450262) is 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole is COC(c1cncn1C)C(F)(F)F.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
The InChIKey is YYJFDIRBVYWMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-12-4-11-3-5(12)6(13-2)7(8,9)10/h3-4,6H,1-2H3.
What are the key properties of 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole has a molecular weight of 194.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole is sourced from PubChem (CID 58450262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).