(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate

C₅H₃F₃O₅S — CID 15883473

About (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate

(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate (PubChem CID 15883473) has the molecular formula C₅H₃F₃O₅S and a molecular weight of 232.13 g/mol. Its IUPAC name is (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate.

Molecular Properties

• Compound Name: (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate
• PubChem CID: 15883473
• Molecular Formula: C₅H₃F₃O₅S
• Molecular Weight: 232.13 g/mol
• Exact Mass: 231.97
• IUPAC Name: (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate
• SMILES: O=C1OCC=C1OS(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C5H3F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h1H,2H2
• InChIKey: DUFOYHKHMDCIHL-UHFFFAOYSA-N
• XLogP: 0.29
• TPSA: 69.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.13
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?

The IUPAC name of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate (CID 15883473) is (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate.

What is the SMILES notation for (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?

The canonical SMILES for (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate is O=C1OCC=C1OS(=O)(=O)C(F)(F)F.

What is the InChIKey of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?

The InChIKey is DUFOYHKHMDCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h1H,2H2.

What are the key properties of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?

(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate has a molecular weight of 232.13 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate is sourced from PubChem (CID 15883473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15883473 — identifiers, structure, computed properties (public domain)

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