4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
TL;DR: 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene (CAS 105532-18-1) is a chemical compound with molecular formula C7H3BrF4O and molecular weight 257.93033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
Also Known As: 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene, 1-bromo-3-fluoro-4-(trifluoromethoxy)benzene, 1-Bromo-3-fluoro-4-trifluoromethoxybenzene, 2-fluoro-4-bromotrifluoromethoxybenzene, 4-Bromo-2-fluoro(trifluoromethoxy)benzene
Technical Specifications
| Molecular Formula | C7H3BrF4O |
| Molecular Weight | 257.93033 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.93033 Da |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| SMILES | C1=CC(=C(C=C1Br)F)OC(F)(F)F |
| InChIKey | SBSFDYRKNUCGBZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
Property Insights of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
The XLogP value of 3.9 indicates that 4-Bromo-2-fluoro-1-(trifluoromethoxy)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, 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene?
The CAS number of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene is 105532-18-1.
What is the molecular formula of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene?
The molecular formula of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene is C7H3BrF4O.
What is the molecular weight of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene?
The molecular weight of 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene is 257.93033 g/mol.
Where can I buy 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene?
You can request a quote for 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.