2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one

C₇H₈F₄N₂O₂ — CID 106951933

About 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one

2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951933) has the molecular formula C₇H₈F₄N₂O₂ and a molecular weight of 228.14 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

• Compound Name: 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
• PubChem CID: 106951933
• Molecular Formula: C₇H₈F₄N₂O₂
• Molecular Weight: 228.14 g/mol
• Exact Mass: 228.05
• IUPAC Name: 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
• SMILES: O=C1CN=C(COCC(F)(F)C(F)F)N1
• InChI: InChI=1S/C7H8F4N2O2/c8-6(9)7(10,11)3-15-2-4-12-1-5(14)13-4/h6H,1-3H2,(H,12,13,14)
• InChIKey: USKMXQOQLSZLEP-UHFFFAOYSA-N
• XLogP: 0.43
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	228.14
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?

The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one (CID 106951933) is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one.

What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?

The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one is O=C1CN=C(COCC(F)(F)C(F)F)N1.

What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?

The InChIKey is USKMXQOQLSZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2O2/c8-6(9)7(10,11)3-15-2-4-12-1-5(14)13-4/h6H,1-3H2,(H,12,13,14).

What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?

2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 228.14 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106951933 — identifiers, structure, computed properties (public domain)

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