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

C6H7F3N2O2 — CID 138112162

IUPAC1-methylimidazole;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2.C2HF3O2/c1-6-3-2-5-4-6;3-2(4,5)1(6)7/h2-4H,1H3;(H,6,7)
InChIKeyWIKNOSQXZNVMEG-UHFFFAOYSA-N
MW196.13 g/mol
LogP1.05
Rot. Bonds

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

1-methylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 138112162) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 1-methylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methylimidazole;2,2,2-trifluoroacetic acid
PubChem CID138112162
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name1-methylimidazole;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2.C2HF3O2/c1-6-3-2-5-4-6;3-2(4,5)1(6)7/h2-4H,1H3;(H,6,7)
InChIKeyWIKNOSQXZNVMEG-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methylimidazole;2,2,2-trifluoroacetic acid (CID 138112162) is 1-methylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methylimidazole;2,2,2-trifluoroacetic acid is Cn1ccnc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is WIKNOSQXZNVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2HF3O2/c1-6-3-2-5-4-6;3-2(4,5)1(6)7/h2-4H,1H3;(H,6,7).
What are the key properties of 1-methylimidazole;2,2,2-trifluoroacetic acid?
1-methylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 196.13 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138112162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).