2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole

C8H11F3N2O — CID 61329901

IUPAC2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
SMILESCc1nccn1CCOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7-12-2-3-13(7)4-5-14-6-8(9,10)11/h2-3H,4-6H2,1H3
InChIKeyXENMREDTARIEQY-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.77
Rot. Bonds4

About 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole

2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole (PubChem CID 61329901) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
PubChem CID61329901
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
SMILESCc1nccn1CCOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7-12-2-3-13(7)4-5-14-6-8(9,10)11/h2-3H,4-6H2,1H3
InChIKeyXENMREDTARIEQY-UHFFFAOYSA-N
XLogP1.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
The IUPAC name of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole (CID 61329901) is 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole.
What is the SMILES notation for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
The canonical SMILES for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole is Cc1nccn1CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
The InChIKey is XENMREDTARIEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7-12-2-3-13(7)4-5-14-6-8(9,10)11/h2-3H,4-6H2,1H3.
What are the key properties of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole has a molecular weight of 208.18 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole is sourced from PubChem (CID 61329901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).