1-(4-Bromobutoxy)-2-fluorobenzene
TL;DR: 1-(4-Bromobutoxy)-2-fluorobenzene (CAS 106558-68-3) is a chemical compound with molecular formula C10H12BrFO and molecular weight 246.00555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromobutoxy)-2-fluorobenzene
Also Known As: 1-(4-bromobutoxy)-2-fluorobenzene, 2-Fluorophenoxybutyl bromide, 1-(4-bromobutoxy)-2-fluoro-benzene, 1-bromo-4-(2-fluorophenoxy)-butane, 2-(4-bromobutoxy)-1-fluoro-4-methylbenzene
Technical Specifications
| Molecular Formula | C10H12BrFO |
| Molecular Weight | 246.00555 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.00555 Da |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
| SMILES | C1=CC=C(C(=C1)OCCCCBr)F |
| InChIKey | OUGQVYXKBBLCCK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromobutoxy)-2-fluorobenzene
Property Insights of 1-(4-Bromobutoxy)-2-fluorobenzene
The XLogP value of 3.6 indicates that 1-(4-Bromobutoxy)-2-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(4-Bromobutoxy)-2-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromobutoxy)-2-fluorobenzene 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 1-(4-Bromobutoxy)-2-fluorobenzene?
The CAS number of 1-(4-Bromobutoxy)-2-fluorobenzene is 106558-68-3.
What is the molecular formula of 1-(4-Bromobutoxy)-2-fluorobenzene?
The molecular formula of 1-(4-Bromobutoxy)-2-fluorobenzene is C10H12BrFO.
What is the molecular weight of 1-(4-Bromobutoxy)-2-fluorobenzene?
The molecular weight of 1-(4-Bromobutoxy)-2-fluorobenzene is 246.00555 g/mol.
Where can I buy 1-(4-Bromobutoxy)-2-fluorobenzene?
You can request a quote for 1-(4-Bromobutoxy)-2-fluorobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromobutoxy)-2-fluorobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromobutoxy)-2-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.