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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>9</sub>F<sub>6</sub>IO

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Extracted from

Scheme 6

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₉F₆IO
Molecular Weight	446.13 g/mol
Exact Mass	445.9602 Da
InChI	InChI=1S/C15H9F6IO/c16-14(17,18)13(15(19,20)21)11-8-4-5-9-12(11)22(23-13)10-6-2-1-3-7-10/h1-9H
InChIKey	BGLZSCBOGNLOMR-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)I2C3=C(C=CC=C3)C(C(F)(F)F)(C(F)(F)F)O2
Number of Atoms	32
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	6
XLogP	4.2

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