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
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C9H5F6IO |
| Molecular Weight | 370.03 g/mol |
| Exact Mass | 369.9289 Da |
| InChI |
InChI=1S/C9H5F6IO/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,17H
|
| InChIKey |
MBIFXRHRQZBUNV-UHFFFAOYSA-N
|
| SMILES |
C1=CC(=C(C=C1)I)C(C(F)(F)F)(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 | 3.8 |