4'-Chloro-3'-fluoroacetophenone
TL;DR: 4'-Chloro-3'-fluoroacetophenone (CAS 151945-84-5) is a chemical compound with molecular formula C8H6ClFO and molecular weight 172.00912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloro-3-fluorophenyl)ethanone
Also Known As: 4'-Chloro-3'-fluoroacetophenone, 1-(4-chloro-3-fluorophenyl)ethanone, 4-Chloro-3-fluoroacetophenone, 3-fluoro-4-chloroacetophenone, Intermediates-ZCF02162
Technical Specifications
| Molecular Formula | C8H6ClFO |
| Molecular Weight | 172.00912 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.00912 Da |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
| SMILES | CC(=O)C1=CC(=C(C=C1)Cl)F |
| InChIKey | ATZHNDSADJDUPJ-UHFFFAOYSA-N |
Chemical Property Profile of 4'-Chloro-3'-fluoroacetophenone
Property Insights of 4'-Chloro-3'-fluoroacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloro-3'-fluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-Chloro-3'-fluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chloro-3'-fluoroacetophenone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Chloro-3'-fluoroacetophenone?
The CAS number of 4'-Chloro-3'-fluoroacetophenone is 151945-84-5.
What is the molecular formula of 4'-Chloro-3'-fluoroacetophenone?
The molecular formula of 4'-Chloro-3'-fluoroacetophenone is C8H6ClFO.
What is the molecular weight of 4'-Chloro-3'-fluoroacetophenone?
The molecular weight of 4'-Chloro-3'-fluoroacetophenone is 172.00912 g/mol.
Where can I buy 4'-Chloro-3'-fluoroacetophenone?
You can request a quote for 4'-Chloro-3'-fluoroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Chloro-3'-fluoroacetophenone?
Yes, CoreyChem provides custom synthesis services for 4'-Chloro-3'-fluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.