2-(Trifluoromethyl)benzoic acid
TL;DR: 2-(Trifluoromethyl)benzoic acid (CAS 433-97-6) is a chemical compound with molecular formula C8H5F3O2 and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)benzoic acid
Also Known As: 2-(Trifluoromethyl)benzoic acid, 2-Trifluoromethylbenzoic acid, o-Trifluoromethylbenzoic acid, (Trifluoromethyl)benzoic acid, 2-Carboxybenzotrifluoride
| Molecular Formula | C8H5F3O2 |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02417 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 433-97-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(F)(F)F |
| InChIKey | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)benzoic acid (CAS 433-97-6), with molecular formula C8H5F3O2 and molecular weight 190.02 g/mol. IUPAC: 2-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 2-(Trifluoromethyl)benzoic acid
Property Insights of 2-(Trifluoromethyl)benzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)benzoic acid has 1 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 2-(Trifluoromethyl)benzoic acid?
The CAS number of 2-(Trifluoromethyl)benzoic acid is 433-97-6.
What is the molecular formula of 2-(Trifluoromethyl)benzoic acid?
The molecular formula of 2-(Trifluoromethyl)benzoic acid is C8H5F3O2.
What is the molecular weight of 2-(Trifluoromethyl)benzoic acid?
The molecular weight of 2-(Trifluoromethyl)benzoic acid is 190.02 g/mol.
Where can I buy 2-(Trifluoromethyl)benzoic acid?
You can request a quote for 2-(Trifluoromethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.