2-Bromo-5-fluorobenzotrifluoride
TL;DR: 2-Bromo-5-fluorobenzotrifluoride (CAS 100444-41-5) is a chemical compound with molecular formula C7H3BrF4 and molecular weight 241.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-fluoro-2-(trifluoromethyl)benzene
Also Known As: 2-Bromo-5-fluorobenzotrifluoride, 1-Bromo-4-fluoro-2-(trifluoromethyl)benzene, 1-bromo-2-(trifluoromethyl)-4-fluorobenzene, 4-fluoro-2-(trifluoromethyl)bromobenzene, 2-bromo-5-fluoro benzotrifluoride
| Molecular Formula | C7H3BrF4 |
|---|---|
| Molecular Weight | 241.94 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.93542 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 100444-41-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)C(F)(F)F)Br |
| InChIKey | AIDVAZGOACECLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-5-fluorobenzotrifluoride (CAS 100444-41-5), with molecular formula C7H3BrF4 and molecular weight 241.94 g/mol. IUPAC: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Bromo-5-fluorobenzotrifluoride
Property Insights of 2-Bromo-5-fluorobenzotrifluoride
The XLogP value of 3.6 indicates that 2-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, 2-Bromo-5-fluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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
Frequently Asked Questions
What is the CAS number of 2-Bromo-5-fluorobenzotrifluoride?
The CAS number of 2-Bromo-5-fluorobenzotrifluoride is 100444-41-5.
What is the molecular formula of 2-Bromo-5-fluorobenzotrifluoride?
The molecular formula of 2-Bromo-5-fluorobenzotrifluoride is C7H3BrF4.
What is the molecular weight of 2-Bromo-5-fluorobenzotrifluoride?
The molecular weight of 2-Bromo-5-fluorobenzotrifluoride is 241.94 g/mol.
Where can I buy 2-Bromo-5-fluorobenzotrifluoride?
You can request a quote for 2-Bromo-5-fluorobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-5-fluorobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-5-fluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.