1-(2,6-Difluorophenyl)propan-2-one
TL;DR: 1-(2,6-Difluorophenyl)propan-2-one (CAS 101712-20-3) 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-(2,6-difluorophenyl)propan-2-one
Also Known As: 2,6-difluorophenylacetone, 1-(2,6-difluorophenyl)propan-2-one, (2,6-Difluorophenyl)acetone, 1-(2,6-Difluorophenyl)-2-propanone, 2-Propanone, 1-(2,6-difluorophenyl)-
Technical Specifications
| Molecular Formula | C9H8F2O |
| Molecular Weight | 170.05432 g/mol |
| XLogP | 1.6 |
| 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 | CC(=O)CC1=C(C=CC=C1F)F |
| InChIKey | LAWHOFKPDMZDLJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,6-Difluorophenyl)propan-2-one
Property Insights of 1-(2,6-Difluorophenyl)propan-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Difluorophenyl)propan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,6-Difluorophenyl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Difluorophenyl)propan-2-one 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 1-(2,6-Difluorophenyl)propan-2-one?
The CAS number of 1-(2,6-Difluorophenyl)propan-2-one is 101712-20-3.
What is the molecular formula of 1-(2,6-Difluorophenyl)propan-2-one?
The molecular formula of 1-(2,6-Difluorophenyl)propan-2-one is C9H8F2O.
What is the molecular weight of 1-(2,6-Difluorophenyl)propan-2-one?
The molecular weight of 1-(2,6-Difluorophenyl)propan-2-one is 170.05432 g/mol.
Where can I buy 1-(2,6-Difluorophenyl)propan-2-one?
You can request a quote for 1-(2,6-Difluorophenyl)propan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,6-Difluorophenyl)propan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(2,6-Difluorophenyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.