1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole

C7H9F3N2 — CID 143656402

IUPAC1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole
SMILESCc1c(CC(F)(F)F)ncn1C
InChIInChI=1S/C7H9F3N2/c1-5-6(3-7(8,9)10)11-4-12(5)2/h4H,3H2,1-2H3
InChIKeyAULSJSSAXSXIRS-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.83
Rot. Bonds1

About 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole

1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole (PubChem CID 143656402) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole
PubChem CID143656402
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole
SMILESCc1c(CC(F)(F)F)ncn1C
InChIInChI=1S/C7H9F3N2/c1-5-6(3-7(8,9)10)11-4-12(5)2/h4H,3H2,1-2H3
InChIKeyAULSJSSAXSXIRS-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-Butyl-4-(propan-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 14735431
1H-Imidazole-4-ethanamine, 1,5-dimethyl-
CID 573597
5-Methyl-4-pentafluoroethylimidazole
CID 19789824
1,4-Dimethyl-5-(trifluoromethyl)imidazole
CID 20719661
5-methyl-4-(1,1,2,2-tetrafluoroethyl)-1H-imidazole
CID 21748182
4,5-Dimethyl-1-(2,2,2-trifluoroethyl)imidazole
CID 21806710
1,5-Dimethyl-4-(trifluoromethyl)-1H-imidazole
CID 45088819
5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
CID 59148160
5-Ethyl-1-methyl-4-(2,2,2-trifluoroethyl)imidazole
CID 59746130
CID 89035427
CID 89035427
CID 89035429
CID 89035429
5-(1-Chloroethyl)-1,4-dimethyl-2-(trifluoromethyl)imidazole
CID 91299140

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole (CID 143656402) is 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole is Cc1c(CC(F)(F)F)ncn1C.
What is the InChIKey of 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is AULSJSSAXSXIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5-6(3-7(8,9)10)11-4-12(5)2/h4H,3H2,1-2H3.
What are the key properties of 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole?
1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 178.16 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 143656402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).