2,6-Bis(trifluoromethyl)benzeneboronic acid
TL;DR: 2,6-Bis(trifluoromethyl)benzeneboronic acid (CAS 681812-07-7) is a chemical compound with molecular formula C8H5BF6O2 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-bis(trifluoromethyl)phenyl]boronic acid
Also Known As: (2,6-Bis(trifluoromethyl)phenyl)boronic acid, 2,6-Bis(trifluoromethyl)phenylboronic acid, 2,6-Bis(trifluoromethyl)benzeneboronic acid, [2,6-bis(trifluoromethyl)phenyl]boronic Acid, ABLOCK AB-13-3574
| Molecular Formula | C8H5BF6O2 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 1.404 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0287 |
| Heavy Atoms | 17 |
| Complexity | 379.2069 |
Chemical Identifiers
| CAS Number | 681812-07-7 |
|---|---|
| SMILES | B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O |
Product Overview
2,6-Bis(trifluoromethyl)benzeneboronic acid (CAS 681812-07-7), with molecular formula C8H5BF6O2 and molecular weight 258.03 g/mol. IUPAC: [2,6-bis(trifluoromethyl)phenyl]boronic acid.
Chemical Property Profile of 2,6-Bis(trifluoromethyl)benzeneboronic acid
Property Insights of 2,6-Bis(trifluoromethyl)benzeneboronic acid
The XLogP value of 1.404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis(trifluoromethyl)benzeneboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2,6-Bis(trifluoromethyl)benzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(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 2,6-Bis(trifluoromethyl)benzeneboronic acid?
The CAS number of 2,6-Bis(trifluoromethyl)benzeneboronic acid is 681812-07-7.
What is the molecular formula of 2,6-Bis(trifluoromethyl)benzeneboronic acid?
The molecular formula of 2,6-Bis(trifluoromethyl)benzeneboronic acid is C8H5BF6O2.
What is the molecular weight of 2,6-Bis(trifluoromethyl)benzeneboronic acid?
The molecular weight of 2,6-Bis(trifluoromethyl)benzeneboronic acid is 258.03 g/mol.
Where can I buy 2,6-Bis(trifluoromethyl)benzeneboronic acid?
You can request a quote for 2,6-Bis(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 2,6-Bis(trifluoromethyl)benzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(trifluoromethyl)benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.