1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid

C8H11F3N2O2 — CID 171928929

IUPAC1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
SMILESCCn1ccnc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2.C2HF3O2/c1-3-8-5-4-7-6(8)2;3-2(4,5)1(6)7/h4-5H,3H2,1-2H3;(H,6,7)
InChIKeyQHWLHACNKRYVHH-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.84
Rot. Bonds1

About 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid

1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 171928929) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
PubChem CID171928929
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
SMILESCCn1ccnc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2.C2HF3O2/c1-3-8-5-4-7-6(8)2;3-2(4,5)1(6)7/h4-5H,3H2,1-2H3;(H,6,7)
InChIKeyQHWLHACNKRYVHH-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-methylimidazol-1-yl)acetic acid;zinc
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2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
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3,5-difluoro-N-[2-(2-methylimidazol-1-yl)ethyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
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1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
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1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
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1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid (CID 171928929) is 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid is CCn1ccnc1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is QHWLHACNKRYVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2HF3O2/c1-3-8-5-4-7-6(8)2;3-2(4,5)1(6)7/h4-5H,3H2,1-2H3;(H,6,7).
What are the key properties of 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid?
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 224.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171928929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).