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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>10</sub>H<sub>7</sub>F<sub>6</sub>IO

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Extracted from

Scheme 2

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₇F₆IO
Molecular Weight	384.06 g/mol
Exact Mass	383.9446 Da
InChI	InChI=1S/C10H7F6IO/c1-5-2-3-7(17)6(4-5)8(18,9(11,12)13)10(14,15)16/h2-4,18H,1H3
InChIKey	DNKNDMYHQBSXIJ-UHFFFAOYSA-N
SMILES	CC1=CC=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)I
Number of Atoms	25
Number of H-Bond Acceptors	1
Number of H-Bond Donors	1
Atoms in the Largest π-System	6
XLogP	4.2

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