1-Bromo-4-(pentafluoroethoxy)benzene
TL;DR: 1-Bromo-4-(pentafluoroethoxy)benzene (CAS 56425-85-5) is a chemical compound with molecular formula C8H4BrF5O and molecular weight 289.93658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene
Also Known As: 1-Bromo-4-(perfluoroethoxy)benzene, 1-bromo-4-(pentafluoroethoxy)benzene, 1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene, 4-Bromopentafluoroethoxybenzene, Benzene, 1-bromo-4-(pentafluoroethoxy)-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4BrF5O |
| Molecular Weight | 289.93658 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.93658 Da |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
| SMILES | C1=CC(=CC=C1OC(C(F)(F)F)(F)F)Br |
| InChIKey | BGNSROFPLXZBJD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-4-(pentafluoroethoxy)benzene
Property Insights of 1-Bromo-4-(pentafluoroethoxy)benzene
The XLogP value of 4.5 indicates that 1-Bromo-4-(pentafluoroethoxy)benzene 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-Bromo-4-(pentafluoroethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(pentafluoroethoxy)benzene has 0 hydrogen bond donor(s) and 6 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-Bromo-4-(pentafluoroethoxy)benzene?
The CAS number of 1-Bromo-4-(pentafluoroethoxy)benzene is 56425-85-5.
What is the molecular formula of 1-Bromo-4-(pentafluoroethoxy)benzene?
The molecular formula of 1-Bromo-4-(pentafluoroethoxy)benzene is C8H4BrF5O.
What is the molecular weight of 1-Bromo-4-(pentafluoroethoxy)benzene?
The molecular weight of 1-Bromo-4-(pentafluoroethoxy)benzene is 289.93658 g/mol.
Where can I buy 1-Bromo-4-(pentafluoroethoxy)benzene?
You can request a quote for 1-Bromo-4-(pentafluoroethoxy)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-4-(pentafluoroethoxy)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-4-(pentafluoroethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.