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

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₈F₃IO
Molecular Weight	316.06 g/mol
Exact Mass	315.9572 Da
InChI	InChI=1S/C9H8F3IO/c1-8(14,9(10,11)12)6-4-2-3-5-7(6)13/h2-5,14H,1H3
InChIKey	IKHLJYZBDZRBPM-UHFFFAOYSA-N
SMILES	CC(C1=C(C=CC=C1)I)(C(F)(F)F)O
Number of Atoms	22
Number of H-Bond Acceptors	1
Number of H-Bond Donors	1
Atoms in the Largest π-System	6
XLogP	2.8

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