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Oxidative fluorination with Selectfluor: A convenient procedure for preparing hypervalent iodine(V) fluorides

Samuel M. G. Dearman, Xiang Li, Yang Li, Kuldip Singh and Alison M. Stuart

Beilstein J. Org. Chem. 2024, 20, 1785–1793. https://doi.org/10.3762/bjoc.20.157

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Chemical structure C<sub>15</sub>H<sub>11</sub>FO<sub>2</sub>

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₁FO₂
Molecular Weight	242.25 g/mol
Exact Mass	242.0743 Da
InChI	InChI=1S/C15H11FO2/c16-10-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14(17)18-15/h1-9H,10H2
InChIKey	NJMOAZHTWRBAGT-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2(CF)C3=C(C=CC=C3)C(=O)O2
Number of Atoms	29
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	9
XLogP	2.4

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