5-ethyl-1-methyl-2-(trifluoromethyl)imidazole

C7H9F3N2 — CID 144946159

IUPAC5-ethyl-1-methyl-2-(trifluoromethyl)imidazole
SMILESCCc1cnc(C(F)(F)F)n1C
InChIInChI=1S/C7H9F3N2/c1-3-5-4-11-6(12(5)2)7(8,9)10/h4H,3H2,1-2H3
InChIKeyFXLILCHFIXXJEX-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.00
Rot. Bonds1

About 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole

5-ethyl-1-methyl-2-(trifluoromethyl)imidazole (PubChem CID 144946159) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-(trifluoromethyl)imidazole
PubChem CID144946159
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name5-ethyl-1-methyl-2-(trifluoromethyl)imidazole
SMILESCCc1cnc(C(F)(F)F)n1C
InChIInChI=1S/C7H9F3N2/c1-3-5-4-11-6(12(5)2)7(8,9)10/h4H,3H2,1-2H3
InChIKeyFXLILCHFIXXJEX-UHFFFAOYSA-N
XLogP2.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.00
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-(trifluoromethyl)imidazole?
The IUPAC name of 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole (CID 144946159) is 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole is CCc1cnc(C(F)(F)F)n1C.
What is the InChIKey of 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole?
The InChIKey is FXLILCHFIXXJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-3-5-4-11-6(12(5)2)7(8,9)10/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-2-(trifluoromethyl)imidazole?
5-ethyl-1-methyl-2-(trifluoromethyl)imidazole has a molecular weight of 178.16 g/mol, XLogP of 2.00, 1 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-(trifluoromethyl)imidazole is sourced from PubChem (CID 144946159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).