TL;DR: 2-(3,5-Difluorophenyl)acetyl chloride (CAS 157033-24-4) is a chemical compound with molecular formula C8H5ClF2O and molecular weight 189.9997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-difluorophenyl)acetyl chloride
Also Known As: 2-(3,5-Difluorophenyl)Ethanoyl Chloride, 3,5-Difluorophenylacetyl chloride, 2-(3,5-difluorophenyl)acetyl chloride, Benzeneacetyl chloride, 3,5-difluoro-, 3,5-Difluorobenzeneacetyl chloride
| Molecular Formula | C8H5ClF2O |
| Molecular Weight | 189.9997 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.9997 Da |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
| SMILES | C1=C(C=C(C=C1F)F)CC(=O)Cl |
| InChIKey | WMVPARKLYWQLNN-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Difluorophenyl)acetyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(3,5-Difluorophenyl)acetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Difluorophenyl)acetyl chloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,5-Difluorophenyl)acetyl chloride is 157033-24-4.
The molecular formula of 2-(3,5-Difluorophenyl)acetyl chloride is C8H5ClF2O.
The molecular weight of 2-(3,5-Difluorophenyl)acetyl chloride is 189.9997 g/mol.
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