Photoenzymatic asymmetric incorporation of fluorinated motifs into olefins

Enzymes capable of assimilating fluorinated feedstocks are scarce, which poses a challenge for the biosynthesis of fluorinated compounds used in pharmaceuticals, agrochemicals, and materials. We develop a photoenzymatic hydrofluoroalkylation that adeptly integrates fluorinated motifs into olefins. The photoinduced promiscuity of flavin-dependent ene-reductases enables generation of carbon-centered radicals from iodinated fluoroalkanes, which are directed by the photoenzyme to engage enantioselectively with olefins. This approach facilitates stereocontrol through interaction between a singular fluorinated unit and the enzyme, securing high enantioselectivity at β-, γ-, or δ-positions of fluorinated groups via enzymatic hydrogen atom transfer, a process notably challenging with conventional chemocatalysis. This work advances enzymatic strategies for integrating fluorinated chemical feedstocks and opens new avenues for asymmetric synthesis of fluorinated compounds., , , # Photoenzymatic Asymmetric Incorporation of Fluorinated Motifs into Olefins

[https://doi.org/10.5061/dryad.r2280gbm6](https://doi.org/10.5061/dryad.r2280gbm6)

This dataset supports the research published in \"Photoenzymatic Asymmetric Incorporation of Fluorinated Motifs into Olefins\" and contains all the necessary files for molecular docking and cluster modeling as described in the article and Supplementary Information. Molecular docking was completed using Autodock Vina, and cluster modeling was performed using Gaussian 16.

## Description of the data and file structure

### Molecular Docking

* **3tx9.pdbqt**
* Description: This file contains the pdbqt format of the enzyme used in the molecular docking.
* **CHF2CH2I.pdbqt**
* Description: This file represents the pdbqt format of the ligand.
* **CHF2CH2I_out.pdbqt**
* Description: Output file showing the docked results.
* **config.txt**
* Description: Configuration file used to set up the molecular docking parameters in Autod...