4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole

C7H9F3N2O — CID 90886767

IUPAC4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole
SMILESCc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C7H9F3N2O/c1-6-4-12(5-11-6)2-3-13-7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyOYQLUNMWZBXSOD-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.73
Rot. Bonds3

About 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole

4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole (PubChem CID 90886767) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole
PubChem CID90886767
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole
SMILESCc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C7H9F3N2O/c1-6-4-12(5-11-6)2-3-13-7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyOYQLUNMWZBXSOD-UHFFFAOYSA-N
XLogP1.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole?
The IUPAC name of 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole (CID 90886767) is 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole is Cc1cn(CCOC(F)(F)F)cn1.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole?
The InChIKey is OYQLUNMWZBXSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-6-4-12(5-11-6)2-3-13-7(8,9)10/h4-5H,2-3H2,1H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole?
4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole has a molecular weight of 194.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethoxy)ethyl]imidazole is sourced from PubChem (CID 90886767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).