3',5'-Difluoroacetophenone
TL;DR: 3',5'-Difluoroacetophenone (CAS 1235864-54-6) is a chemical compound with molecular formula C8H6F2O and molecular weight 156.03867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-difluorophenyl)ethanone
Also Known As: 3',5'-Difluoroacetophenone, 3,5-Difluoroacetophenone, 1-(3,5-Difluorophenyl)ethanone, null, 1-(3,5-Difluorophenyl)Ethan-1-One
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6F2O |
| Molecular Weight | 156.03867 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.03867 Da |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
| SMILES | CC(=O)C1=CC(=CC(=C1)F)F |
| InChIKey | OXJLDNSPGPBDCP-UHFFFAOYSA-N |
Chemical Property Profile of 3',5'-Difluoroacetophenone
Property Insights of 3',5'-Difluoroacetophenone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',5'-Difluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3',5'-Difluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',5'-Difluoroacetophenone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3',5'-Difluoroacetophenone?
The CAS number of 3',5'-Difluoroacetophenone is 1235864-54-6.
What is the molecular formula of 3',5'-Difluoroacetophenone?
The molecular formula of 3',5'-Difluoroacetophenone is C8H6F2O.
What is the molecular weight of 3',5'-Difluoroacetophenone?
The molecular weight of 3',5'-Difluoroacetophenone is 156.03867 g/mol.
Where can I buy 3',5'-Difluoroacetophenone?
You can request a quote for 3',5'-Difluoroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3',5'-Difluoroacetophenone?
Yes, CoreyChem provides custom synthesis services for 3',5'-Difluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.