4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid

C9H13F3N2O3 — CID 171923148

IUPAC4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid
SMILESCCOc1cn(C)c(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O.C2HF3O2/c1-4-10-7-5-9(3)6(2)8-7;3-2(4,5)1(6)7/h5H,4H2,1-3H3;(H,6,7)
InChIKeyAWTLZSJQUSMBSO-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.76
Rot. Bonds2

About 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid

4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 171923148) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid
PubChem CID171923148
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid
SMILESCCOc1cn(C)c(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O.C2HF3O2/c1-4-10-7-5-9(3)6(2)8-7;3-2(4,5)1(6)7/h5H,4H2,1-3H3;(H,6,7)
InChIKeyAWTLZSJQUSMBSO-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
CID 12699993
2-(2-Ethoxycarbonylimidazol-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 68700990
1-[4-(2,2,2-Trifluoroethoxy)imidazol-1-yl]ethanone
CID 91091809
4-ethoxy-2,3-dimethyl-1H-imidazol-3-ium;2,2,2-trifluoroacetate
CID 118061797
4-ethoxy-2-ethyl-3-methyl-1H-imidazol-3-ium;2,2,2-trifluoroacetate
CID 118062756
1-Difluoromethyl-1H-imidazole-2-carboxylic acid ethyl ester
CID 122546711
3-(trifluoromethyl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine-6-carboxylic acid
CID 124178441
5-ethoxy-2,3-dimethyl-1H-imidazol-3-ium;2,2,2-trifluoroacetate
CID 141643192
2-(1-Methoxyethyl)-1-methylimidazole;2,2,2-trifluoroacetic acid
CID 173580491
2-(1-Ethoxyethyl)-1-methylimidazole;2,2,2-trifluoroacetic acid
CID 173580509
N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-(2-methoxyethyl)ethanamine
CID 175549302
Ethyl 1-(2,2,2-trifluoroethyl)imidazole-2-carboxylate
CID 175943012

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid (CID 171923148) is 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid is CCOc1cn(C)c(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is AWTLZSJQUSMBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2HF3O2/c1-4-10-7-5-9(3)6(2)8-7;3-2(4,5)1(6)7/h5H,4H2,1-3H3;(H,6,7).
What are the key properties of 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid?
4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 254.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,2-dimethylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171923148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).