N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one
TL;DR: N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one (CAS 131230-67-6) is a chemical compound with molecular formula C10H8ClF2NO and molecular weight 231.02625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(chloromethyl)phenyl]-3,3-difluoroazetidin-2-one
Also Known As: CMPDF, 1-[2-(chloromethyl)phenyl]-3,3-difluoroazetidin-2-one, AA 231-1, N-(2-Chloromethylphenyl)-3,3-difluoroazetidin-2-one, AA231-1
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8ClF2NO |
| Molecular Weight | 231.02625 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.02625 Da |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| SMILES | C1C(C(=O)N1C2=CC=CC=C2CCl)(F)F |
| InChIKey | XFNBRLSUCYVXKP-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one
Property Insights of N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one. With a topological polar surface area (TPSA) of 20.3 Ų, N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloromethylphenyl)-3,3-difluoroazetidin-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 N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one?
The CAS number of N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one is 131230-67-6.
What is the molecular formula of N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one?
The molecular formula of N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one is C10H8ClF2NO.
What is the molecular weight of N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one?
The molecular weight of N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one is 231.02625 g/mol.
Where can I buy N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one?
You can request a quote for N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one?
Yes, CoreyChem provides custom synthesis services for N-(2-chloromethylphenyl)-3,3-difluoroazetidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.