1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole

C8H13F3N2O — CID 162592483

IUPAC1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole
SMILESCN1C=CN(CCOCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c1-12-2-3-13(7-12)4-5-14-6-8(9,10)11/h2-3H,4-7H2,1H3
InChIKeyQMPKLRALXFJYLA-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.24
Rot. Bonds4

About 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole

1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole (PubChem CID 162592483) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole
PubChem CID162592483
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole
SMILESCN1C=CN(CCOCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c1-12-2-3-13(7-12)4-5-14-6-8(9,10)11/h2-3H,4-7H2,1H3
InChIKeyQMPKLRALXFJYLA-UHFFFAOYSA-N
XLogP1.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.24
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 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole (CID 162592483) is 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole is CN1C=CN(CCOCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole?
The InChIKey is QMPKLRALXFJYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-12-2-3-13(7-12)4-5-14-6-8(9,10)11/h2-3H,4-7H2,1H3.
What are the key properties of 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole?
1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole has a molecular weight of 210.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-2H-imidazole is sourced from PubChem (CID 162592483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).