1-ethylimidazole;2,2,2-trifluoroacetic acid

C7H9F3N2O2 — CID 131885480

IUPAC1-ethylimidazole;2,2,2-trifluoroacetic acid
SMILESCCn1ccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2.C2HF3O2/c1-2-7-4-3-6-5-7;3-2(4,5)1(6)7/h3-5H,2H2,1H3;(H,6,7)
InChIKeyBWVHVHWMCIBWJE-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.54
Rot. Bonds1

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

1-ethylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 131885480) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.16 g/mol. Its IUPAC name is 1-ethylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethylimidazole;2,2,2-trifluoroacetic acid
PubChem CID131885480
Molecular FormulaC7H9F3N2O2
Molecular Weight210.16 g/mol
Exact Mass210.06
IUPAC Name1-ethylimidazole;2,2,2-trifluoroacetic acid
SMILESCCn1ccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2.C2HF3O2/c1-2-7-4-3-6-5-7;3-2(4,5)1(6)7/h3-5H,2H2,1H3;(H,6,7)
InChIKeyBWVHVHWMCIBWJE-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethylimidazole;2,2,2-trifluoroacetic acid (CID 131885480) is 1-ethylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethylimidazole;2,2,2-trifluoroacetic acid is CCn1ccnc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is BWVHVHWMCIBWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2HF3O2/c1-2-7-4-3-6-5-7;3-2(4,5)1(6)7/h3-5H,2H2,1H3;(H,6,7).
What are the key properties of 1-ethylimidazole;2,2,2-trifluoroacetic acid?
1-ethylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 210.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131885480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).