1-ethyl-4-(trifluoromethyl)imidazole

C6H7F3N2 — CID 12785670

IUPAC1-ethyl-4-(trifluoromethyl)imidazole
SMILESCCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C6H7F3N2/c1-2-11-3-5(10-4-11)6(7,8)9/h3-4H,2H2,1H3
InChIKeyMBDFZQKKFSXXQK-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.92
Rot. Bonds1

About 1-ethyl-4-(trifluoromethyl)imidazole

1-ethyl-4-(trifluoromethyl)imidazole (PubChem CID 12785670) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)imidazole
PubChem CID12785670
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1-ethyl-4-(trifluoromethyl)imidazole
SMILESCCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C6H7F3N2/c1-2-11-3-5(10-4-11)6(7,8)9/h3-4H,2H2,1H3
InChIKeyMBDFZQKKFSXXQK-UHFFFAOYSA-N
XLogP1.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
4(5)-(Trifluoromethyl)imidazole
CID 585891
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
1,5-Dimethyl-2-nitro-1H-imidazole
CID 78888
Imidazole, 1,4-dimethyl-2-nitro-
CID 79181
1-Methyl-1H-imidazole-4-carbonitrile
CID 2795115
5-Ethynyl-1-methyl-1H-imidazole
CID 3333106
Imidazole, 1-ethyl-5-methyl-2-nitro-
CID 90176
4-(difluoromethyl)-1H-imidazole
CID 12035266
1-Methyl-5-aminomethylimidazole
CID 2795424

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)imidazole (CID 12785670) is 1-ethyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)imidazole is CCn1cnc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)imidazole?
The InChIKey is MBDFZQKKFSXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-2-11-3-5(10-4-11)6(7,8)9/h3-4H,2H2,1H3.
What are the key properties of 1-ethyl-4-(trifluoromethyl)imidazole?
1-ethyl-4-(trifluoromethyl)imidazole has a molecular weight of 164.13 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 12785670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).