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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>8</sub>H<sub>4</sub>F<sub>3</sub>IO

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₄F₃IO
Molecular Weight	300.02 g/mol
Exact Mass	299.9259 Da
InChI	InChI=1S/C8H4F3IO/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4H
InChIKey	VWSJWBOJVICIGJ-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1)I)C(=O)C(F)(F)F
Number of Atoms	17
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	2.5

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