Allyl (3-fluorophenyl) ether
TL;DR: Allyl (3-fluorophenyl) ether (CAS 113947-87-8) is a chemical compound with molecular formula C9H9FO and molecular weight 152.06374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-3-prop-2-enoxybenzene
Also Known As: allyl (3-fluorophenyl) ether, 3-Fluorophenylallyl ether, 3-fluoro-allyloxy-benzene, allyl m-fluorophenyl ether, 1-(allyloxy)-3-fluorobenzene
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9FO |
| Molecular Weight | 152.06374 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.06374 Da |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
| SMILES | C=CCOC1=CC(=CC=C1)F |
| InChIKey | WTUUABQVRKOWKA-UHFFFAOYSA-N |
Chemical Property Profile of Allyl (3-fluorophenyl) ether
Property Insights of Allyl (3-fluorophenyl) ether
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl (3-fluorophenyl) ether. With a topological polar surface area (TPSA) of 9.2 Ų, Allyl (3-fluorophenyl) ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl (3-fluorophenyl) ether 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 Allyl (3-fluorophenyl) ether?
The CAS number of Allyl (3-fluorophenyl) ether is 113947-87-8.
What is the molecular formula of Allyl (3-fluorophenyl) ether?
The molecular formula of Allyl (3-fluorophenyl) ether is C9H9FO.
What is the molecular weight of Allyl (3-fluorophenyl) ether?
The molecular weight of Allyl (3-fluorophenyl) ether is 152.06374 g/mol.
Where can I buy Allyl (3-fluorophenyl) ether?
You can request a quote for Allyl (3-fluorophenyl) ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl (3-fluorophenyl) ether?
Yes, CoreyChem provides custom synthesis services for Allyl (3-fluorophenyl) ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.