3,5-Difluoropropiophenone
TL;DR: 3,5-Difluoropropiophenone (CAS 101335-11-9) is a chemical compound with molecular formula C9H8F2O and molecular weight 170.05432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-difluorophenyl)propan-1-one
Also Known As: 1-(3,5-difluorophenyl)propan-1-one, 3,5-Difluoropropiophenone, 3',5'-Difluoropropiophenone, 2-Chloro-4-fluoroiodobenzene, 1-(3,5-difluorophenyl)-1-propanone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8F2O |
| Molecular Weight | 170.05432 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05432 Da |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| SMILES | CCC(=O)C1=CC(=CC(=C1)F)F |
| InChIKey | FVDQWXARVQADKN-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Difluoropropiophenone
Property Insights of 3,5-Difluoropropiophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Difluoropropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Difluoropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Difluoropropiophenone 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-Difluoropropiophenone?
The CAS number of 3,5-Difluoropropiophenone is 101335-11-9.
What is the molecular formula of 3,5-Difluoropropiophenone?
The molecular formula of 3,5-Difluoropropiophenone is C9H8F2O.
What is the molecular weight of 3,5-Difluoropropiophenone?
The molecular weight of 3,5-Difluoropropiophenone is 170.05432 g/mol.
Where can I buy 3,5-Difluoropropiophenone?
You can request a quote for 3,5-Difluoropropiophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Difluoropropiophenone?
Yes, CoreyChem provides custom synthesis services for 3,5-Difluoropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.