3-Bromo-5-fluorobenzotrifluoride
TL;DR: 3-Bromo-5-fluorobenzotrifluoride (CAS 130723-13-6) is a chemical compound with molecular formula C7H3BrF4 and molecular weight 241.93542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-3-fluoro-5-(trifluoromethyl)benzene
Also Known As: 3-Bromo-5-fluorobenzotrifluoride, 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene, 3-Bromo-5-flurobenzotrifluoride, 3-bromo-5-fluorotrifluoromethylbenzene, 3-Fluoro-5-(trifluoromethyl)bromobenzene
Technical Specifications
| Molecular Formula | C7H3BrF4 |
| Molecular Weight | 241.93542 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.93542 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | C1=C(C=C(C=C1F)Br)C(F)(F)F |
| InChIKey | LIGBGEJPUQBLTG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-5-fluorobenzotrifluoride
Property Insights of 3-Bromo-5-fluorobenzotrifluoride
The XLogP value of 3.6 indicates that 3-Bromo-5-fluorobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Bromo-5-fluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-fluorobenzotrifluoride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromo-5-fluorobenzotrifluoride?
The CAS number of 3-Bromo-5-fluorobenzotrifluoride is 130723-13-6.
What is the molecular formula of 3-Bromo-5-fluorobenzotrifluoride?
The molecular formula of 3-Bromo-5-fluorobenzotrifluoride is C7H3BrF4.
What is the molecular weight of 3-Bromo-5-fluorobenzotrifluoride?
The molecular weight of 3-Bromo-5-fluorobenzotrifluoride is 241.93542 g/mol.
Where can I buy 3-Bromo-5-fluorobenzotrifluoride?
You can request a quote for 3-Bromo-5-fluorobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-5-fluorobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-5-fluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.