3-Fluoro-5-(trifluoromethyl)benzeneboronic acid
TL;DR: 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid (CAS 946729-67-5) is a chemical compound with molecular formula C7H5BF4O2 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-fluoro-5-(trifluoromethyl)phenyl]boronic acid
Also Known As: (3-Fluoro-5-(trifluoromethyl)phenyl)boronic acid, 3-Fluoro-5-(trifluoromethyl)phenylboronic acid, Hexyl4-Hydroxybenzoate, [3-fluoro-5-(trifluoromethyl)phenyl]boronic Acid, 3-FLUORO-5-TRIFLUOROMETHYLPHENYLBORONIC ACID
| Molecular Formula | C7H5BF4O2 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.5243 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.03188 |
| Heavy Atoms | 14 |
| Complexity | 336.95193 |
Chemical Identifiers
| CAS Number | 946729-67-5 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1)F)C(F)(F)F)(O)O |
Product Overview
3-Fluoro-5-(trifluoromethyl)benzeneboronic acid (CAS 946729-67-5), with molecular formula C7H5BF4O2 and molecular weight 208.03 g/mol. IUPAC: [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid.
Chemical Property Profile of 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid
Property Insights of 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid
The XLogP value of 0.5243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid has 2 hydrogen bond donor(s) and 2 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 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid?
The CAS number of 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid is 946729-67-5.
What is the molecular formula of 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid?
The molecular formula of 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid is C7H5BF4O2.
What is the molecular weight of 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid?
The molecular weight of 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid is 208.03 g/mol.
Where can I buy 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid?
You can request a quote for 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.