1,2-dimethyl-5-(trifluoromethoxy)imidazole

C6H7F3N2O — CID 118466146

IUPAC1,2-dimethyl-5-(trifluoromethoxy)imidazole
SMILESCc1ncc(OC(F)(F)F)n1C
InChIInChI=1S/C6H7F3N2O/c1-4-10-3-5(11(4)2)12-6(7,8)9/h3H,1-2H3
InChIKeyCYXWJCAFSXWBTB-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.63
Rot. Bonds1

About 1,2-dimethyl-5-(trifluoromethoxy)imidazole

1,2-dimethyl-5-(trifluoromethoxy)imidazole (PubChem CID 118466146) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1,2-dimethyl-5-(trifluoromethoxy)imidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(trifluoromethoxy)imidazole
PubChem CID118466146
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1,2-dimethyl-5-(trifluoromethoxy)imidazole
SMILESCc1ncc(OC(F)(F)F)n1C
InChIInChI=1S/C6H7F3N2O/c1-4-10-3-5(11(4)2)12-6(7,8)9/h3H,1-2H3
InChIKeyCYXWJCAFSXWBTB-UHFFFAOYSA-N
XLogP1.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-imidazole
CID 145874442
6-methoxy-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazin-2-amine
CID 71972957
2-Fluoro-3-methylimidazol-4-ol
CID 54409593
CID 58450204
CID 58450204
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
CID 61329901
1-[2-(Trifluoromethoxy)ethyl]imidazole
CID 65802907
2-methyl-5-(trifluoromethoxy)-1H-imidazole
CID 68374672
2-(Trifluoromethoxy)imidazo[1,2-a]pyrazine
CID 68677191
8-(Trifluoromethoxy)imidazo[1,2-a]pyrazine
CID 68677192
1-Methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazol-1-ium
CID 87104757
1,2-Dimethyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazol-1-ium
CID 87104876
2-Fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazol-1-ium
CID 87104932

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(trifluoromethoxy)imidazole?
The IUPAC name of 1,2-dimethyl-5-(trifluoromethoxy)imidazole (CID 118466146) is 1,2-dimethyl-5-(trifluoromethoxy)imidazole.
What is the SMILES notation for 1,2-dimethyl-5-(trifluoromethoxy)imidazole?
The canonical SMILES for 1,2-dimethyl-5-(trifluoromethoxy)imidazole is Cc1ncc(OC(F)(F)F)n1C.
What is the InChIKey of 1,2-dimethyl-5-(trifluoromethoxy)imidazole?
The InChIKey is CYXWJCAFSXWBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-4-10-3-5(11(4)2)12-6(7,8)9/h3H,1-2H3.
What are the key properties of 1,2-dimethyl-5-(trifluoromethoxy)imidazole?
1,2-dimethyl-5-(trifluoromethoxy)imidazole has a molecular weight of 180.13 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(trifluoromethoxy)imidazole is sourced from PubChem (CID 118466146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).