3-Methyl-5-(trifluoromethyl)benzoic acid
TL;DR: 3-Methyl-5-(trifluoromethyl)benzoic acid (CAS 117186-02-4) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.03981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5-(trifluoromethyl)benzoic acid
Also Known As: 3-methyl-5-(trifluoromethyl)benzoic Acid, Oxacillin sodium salt, 3-Carboxy-5-methylbenzotrifluoride, CARBACHOL CHLORIDE, Benzoic acid, 3-methyl-5-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.03981 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.03981 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | CC1=CC(=CC(=C1)C(F)(F)F)C(=O)O |
| InChIKey | QJSRENHDYMAJIL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-5-(trifluoromethyl)benzoic acid
Property Insights of 3-Methyl-5-(trifluoromethyl)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(trifluoromethyl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyl-5-(trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(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
What is the CAS number of 3-Methyl-5-(trifluoromethyl)benzoic acid?
The CAS number of 3-Methyl-5-(trifluoromethyl)benzoic acid is 117186-02-4.
What is the molecular formula of 3-Methyl-5-(trifluoromethyl)benzoic acid?
The molecular formula of 3-Methyl-5-(trifluoromethyl)benzoic acid is C9H7F3O2.
What is the molecular weight of 3-Methyl-5-(trifluoromethyl)benzoic acid?
The molecular weight of 3-Methyl-5-(trifluoromethyl)benzoic acid is 204.03981 g/mol.
Where can I buy 3-Methyl-5-(trifluoromethyl)benzoic acid?
You can request a quote for 3-Methyl-5-(trifluoromethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-5-(trifluoromethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-5-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.