3-Trifluoromethylcatechol
TL;DR: 3-Trifluoromethylcatechol (CAS 84559-08-0) is a chemical compound with molecular formula C7H5F3O2 and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)benzene-1,2-diol
Also Known As: 3-Trifluoromethylcatechol, 3-(trifluoromethyl)benzene-1,2-diol, 3-Tfm-catechol, 3-(Trifluoromethyl)catechol, 3-ethenylbenzene-1,2-diol
| Molecular Formula | C7H5F3O2 |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.02417 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 84559-08-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)O)C(F)(F)F |
| InChIKey | QNQKVMUAFHMBTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Trifluoromethylcatechol (CAS 84559-08-0), with molecular formula C7H5F3O2 and molecular weight 178.02 g/mol. IUPAC: 3-(trifluoromethyl)benzene-1,2-diol.
Chemical Property Profile of 3-Trifluoromethylcatechol
Property Insights of 3-Trifluoromethylcatechol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Trifluoromethylcatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Trifluoromethylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Trifluoromethylcatechol has 2 hydrogen bond donor(s) and 5 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-Trifluoromethylcatechol?
The CAS number of 3-Trifluoromethylcatechol is 84559-08-0.
What is the molecular formula of 3-Trifluoromethylcatechol?
The molecular formula of 3-Trifluoromethylcatechol is C7H5F3O2.
What is the molecular weight of 3-Trifluoromethylcatechol?
The molecular weight of 3-Trifluoromethylcatechol is 178.02 g/mol.
Where can I buy 3-Trifluoromethylcatechol?
You can request a quote for 3-Trifluoromethylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Trifluoromethylcatechol?
Yes, KEHONG BIO provides custom synthesis services for 3-Trifluoromethylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.