Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
TL;DR: Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate (CAS 360-54-3) is a chemical compound with molecular formula C5H4F6O2 and molecular weight 210.01155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate, Methyl hexafluoroisobutyrate, TRIPHENYLMETHANE, MMP-2 Inhibitor II, Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propionate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4F6O2 |
| Molecular Weight | 210.01155 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.01155 Da |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
| SMILES | COC(=O)C(C(F)(F)F)C(F)(F)F |
| InChIKey | JGGBVFLRNNDHCM-UHFFFAOYSA-N |
Product Description
Applications: Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate (CAS 360-54-3) is a pharmaceutical intermediate with the molecular formula C5H4F6O2 and a molecular weight of 210.01 g/mol. Synonyms include Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate and Methyl hexafluoroisobutyrate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
Property Insights of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate has 0 hydrogen bond donor(s) and 8 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 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
The CAS number of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is 360-54-3.
What is the molecular formula of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
The molecular formula of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is C5H4F6O2.
What is the molecular weight of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
The molecular weight of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is 210.01155 g/mol.
What are the applications of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
You can request a quote for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.