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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>9</sub>H<sub>10</sub>FIO

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₀FIO
Molecular Weight	280.08 g/mol
Exact Mass	279.9760 Da
InChI	InChI=1S/C9H10FIO/c1-9(2)7-5-3-4-6-8(7)11(10)12-9/h3-6H,1-2H3
InChIKey	FISITPXJYDTLHI-UHFFFAOYSA-N
SMILES	CC1(C)C2=C(C=CC=C2)I(F)O1
Number of Atoms	22
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	6
XLogP	2.8

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