Methyl 3-(trifluoromethoxy)benzoate
TL;DR: Methyl 3-(trifluoromethoxy)benzoate (CAS 148438-00-0) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(trifluoromethoxy)benzoate
Also Known As: methyl 3-(trifluoromethoxy)benzoate, Methyl 3-trifluoromethoxybenzoate, METHYL3- BENZOATE, Methyl3-(trifluoromethoxy)benzoate, TPC-I176
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.03473 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03473 Da |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
| SMILES | COC(=O)C1=CC(=CC=C1)OC(F)(F)F |
| InChIKey | YWSQRIKZJLRGPT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(trifluoromethoxy)benzoate
Property Insights of Methyl 3-(trifluoromethoxy)benzoate
The XLogP value of 3.4 indicates that Methyl 3-(trifluoromethoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-(trifluoromethoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(trifluoromethoxy)benzoate has 0 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 Methyl 3-(trifluoromethoxy)benzoate?
The CAS number of Methyl 3-(trifluoromethoxy)benzoate is 148438-00-0.
What is the molecular formula of Methyl 3-(trifluoromethoxy)benzoate?
The molecular formula of Methyl 3-(trifluoromethoxy)benzoate is C9H7F3O3.
What is the molecular weight of Methyl 3-(trifluoromethoxy)benzoate?
The molecular weight of Methyl 3-(trifluoromethoxy)benzoate is 220.03473 g/mol.
Where can I buy Methyl 3-(trifluoromethoxy)benzoate?
You can request a quote for Methyl 3-(trifluoromethoxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(trifluoromethoxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(trifluoromethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.