3-(Trifluoromethoxy)benzoic acid
TL;DR: 3-(Trifluoromethoxy)benzoic acid (CAS 1014-81-9) is a chemical compound with molecular formula C8H5F3O3 and molecular weight 206.01907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(trifluoromethoxy)benzoic acid
Also Known As: 3-(Trifluoromethoxy)benzoic acid, Benzoic acid, 3-(trifluoromethoxy)-, m-Trifluoromethoxybenzoic acid, 3-trifluoromethoxybenzoic acid, m-(trifluoromethoxy)benzoic acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.01907 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.01907 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)C(=O)O |
| InChIKey | OKPFIWIMBJNFSE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Trifluoromethoxy)benzoic acid
Property Insights of 3-(Trifluoromethoxy)benzoic acid
The XLogP value of 3.2 indicates that 3-(Trifluoromethoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(Trifluoromethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethoxy)benzoic acid has 1 hydrogen bond donor(s) and 6 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-(Trifluoromethoxy)benzoic acid?
The CAS number of 3-(Trifluoromethoxy)benzoic acid is 1014-81-9.
What is the molecular formula of 3-(Trifluoromethoxy)benzoic acid?
The molecular formula of 3-(Trifluoromethoxy)benzoic acid is C8H5F3O3.
What is the molecular weight of 3-(Trifluoromethoxy)benzoic acid?
The molecular weight of 3-(Trifluoromethoxy)benzoic acid is 206.01907 g/mol.
Where can I buy 3-(Trifluoromethoxy)benzoic acid?
You can request a quote for 3-(Trifluoromethoxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Trifluoromethoxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Trifluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.