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 | C9H4F7IO |
| Molecular Weight | 388.02 g/mol |
| Exact Mass | 387.9195 Da |
| InChI |
InChI=1S/C9H4F7IO/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)17(16)18-7/h1-4H
|
| InChIKey |
MWEWQFHCMJXMQD-UHFFFAOYSA-N
|
| SMILES |
C1=CC2=C(C=C1)I(F)OC2(C(F)(F)F)C(F)(F)F
|
| Number of Atoms | 22 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 4.8 |