5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole

C8H11F3N2 — CID 59746127

IUPAC5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
SMILESCCc1cnc(CC(F)(F)F)n1C
InChIInChI=1S/C8H11F3N2/c1-3-6-5-12-7(13(6)2)4-8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyGZWKIRUMOSZXEO-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.09
Rot. Bonds2

About 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole

5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole (PubChem CID 59746127) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
PubChem CID59746127
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
SMILESCCc1cnc(CC(F)(F)F)n1C
InChIInChI=1S/C8H11F3N2/c1-3-6-5-12-7(13(6)2)4-8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyGZWKIRUMOSZXEO-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole (CID 59746127) is 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole is CCc1cnc(CC(F)(F)F)n1C.
What is the InChIKey of 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is GZWKIRUMOSZXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-6-5-12-7(13(6)2)4-8(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole?
5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 192.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 59746127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).