1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole

C8H10F6N2O — CID 87104444

IUPAC1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole
SMILESCCN1C=CN(C(F)(F)C(F)OC(F)(F)F)C1
InChIInChI=1S/C8H10F6N2O/c1-2-15-3-4-16(5-15)7(10,11)6(9)17-8(12,13)14/h3-4,6H,2,5H2,1H3
InChIKeyQDRKPMMXJAXDAL-UHFFFAOYSA-N
MW264.17 g/mol
LogP2.48
Rot. Bonds4

About 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole

1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole (PubChem CID 87104444) has the molecular formula C8H10F6N2O and a molecular weight of 264.17 g/mol. Its IUPAC name is 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole
PubChem CID87104444
Molecular FormulaC8H10F6N2O
Molecular Weight264.17 g/mol
Exact Mass264.07
IUPAC Name1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole
SMILESCCN1C=CN(C(F)(F)C(F)OC(F)(F)F)C1
InChIInChI=1S/C8H10F6N2O/c1-2-15-3-4-16(5-15)7(10,11)6(9)17-8(12,13)14/h3-4,6H,2,5H2,1H3
InChIKeyQDRKPMMXJAXDAL-UHFFFAOYSA-N
XLogP2.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
The IUPAC name of 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole (CID 87104444) is 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
The canonical SMILES for 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole is CCN1C=CN(C(F)(F)C(F)OC(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
The InChIKey is QDRKPMMXJAXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O/c1-2-15-3-4-16(5-15)7(10,11)6(9)17-8(12,13)14/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole has a molecular weight of 264.17 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole is sourced from PubChem (CID 87104444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).