2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine
TL;DR: 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine (CAS 127391-89-3) is a chemical compound with molecular formula C11H11FO2 and molecular weight 194.07431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-fluorophenyl)-4,7-dihydro-1,3-dioxepine
Also Known As: 2-(2-fluorophenyl)-4,7-dihydro-1,3-dioxepine, 2-(2-fluorophenyl)-1,3-dioxepin-5-ene, 2-(2-fluorophenyl)-4,7-dihydro-2H-1,3-dioxepine, 10H-946
Technical Specifications
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.07431 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.07431 Da |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
| SMILES | C1C=CCOC(O1)C2=CC=CC=C2F |
| InChIKey | MUKUVLLEECHYEK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine
Property Insights of 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine 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 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine?
The CAS number of 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine is 127391-89-3.
What is the molecular formula of 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine?
The molecular formula of 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine is C11H11FO2.
What is the molecular weight of 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine?
The molecular weight of 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine is 194.07431 g/mol.
Where can I buy 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine?
You can request a quote for 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine?
Yes, CoreyChem provides custom synthesis services for 2-(2-Fluorophenyl)-4,7-dihydro-1,3-dioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.