2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one

C₆H₇F₃N₂O₂ — CID 106951801

About 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one

2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951801) has the molecular formula C₆H₇F₃N₂O₂ and a molecular weight of 196.13 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

• Compound Name: 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
• PubChem CID: 106951801
• Molecular Formula: C₆H₇F₃N₂O₂
• Molecular Weight: 196.13 g/mol
• Exact Mass: 196.05
• IUPAC Name: 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
• SMILES: O=C1CN=C(COCC(F)(F)F)N1
• InChI: InChI=1S/C6H7F3N2O2/c7-6(8,9)3-13-2-4-10-1-5(12)11-4/h1-3H2,(H,10,11,12)
• InChIKey: SNTFFWOMDGRENJ-UHFFFAOYSA-N
• XLogP: 0.09
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.13
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?

The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (CID 106951801) is 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.

What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?

The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is O=C1CN=C(COCC(F)(F)F)N1.

What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?

The InChIKey is SNTFFWOMDGRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)3-13-2-4-10-1-5(12)11-4/h1-3H2,(H,10,11,12).

What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?

2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 196.13 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106951801 — identifiers, structure, computed properties (public domain)

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