1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole

C8H8F6N2O — CID 87159851

IUPAC1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)n(C)c1OCC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4-5(17-3-7(9,10)11)16(2)6(15-4)8(12,13)14/h3H2,1-2H3
InChIKeyDVOFOVBHUWHRII-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.69
Rot. Bonds2

About 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole

1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole (PubChem CID 87159851) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole
PubChem CID87159851
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)n(C)c1OCC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4-5(17-3-7(9,10)11)16(2)6(15-4)8(12,13)14/h3H2,1-2H3
InChIKeyDVOFOVBHUWHRII-UHFFFAOYSA-N
XLogP2.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Bis(ethenyl)-4-methyl-5-(trifluoromethoxy)imidazole;ethane
CID 144176309
1,2-Bis(ethenyl)-4-methyl-5-(trifluoromethoxy)imidazole
CID 144176310
5-Methoxy-1,2,4-trimethylimidazole
CID 58059400
2-Ethoxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 145183693
2,4-Dimethoxy-1,5-dimethylimidazole
CID 166934981
5-Ethoxy-2-methylimidazole-1,4-dicarbonitrile
CID 174885951

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole?
The IUPAC name of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole (CID 87159851) is 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole is Cc1nc(C(F)(F)F)n(C)c1OCC(F)(F)F.
What is the InChIKey of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole?
The InChIKey is DVOFOVBHUWHRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c1-4-5(17-3-7(9,10)11)16(2)6(15-4)8(12,13)14/h3H2,1-2H3.
What are the key properties of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole?
1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole has a molecular weight of 262.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 87159851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).