Methyl 3,3,3-trifluoro-2-methoxypropanoate
TL;DR: Methyl 3,3,3-trifluoro-2-methoxypropanoate (CAS 161487-49-6) is a chemical compound with molecular formula C5H7F3O3 and molecular weight 172.03473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,3,3-trifluoro-2-methoxypropanoate
Also Known As: methyl 3,3,3-trifluoro-2-methoxypropanoate, Methyl 3,3,3-trifluoro-2-methoxy-propanoate
Technical Specifications
| Molecular Formula | C5H7F3O3 |
| Molecular Weight | 172.03473 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.03473 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| SMILES | COC(C(=O)OC)C(F)(F)F |
| InChIKey | VGLIPBCUHJNMGU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-methoxypropanoate
Property Insights of Methyl 3,3,3-trifluoro-2-methoxypropanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-methoxypropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3,3,3-trifluoro-2-methoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-methoxypropanoate 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 3,3,3-trifluoro-2-methoxypropanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-methoxypropanoate is 161487-49-6.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-methoxypropanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-methoxypropanoate is C5H7F3O3.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-methoxypropanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-methoxypropanoate is 172.03473 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-methoxypropanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-methoxypropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,3,3-trifluoro-2-methoxypropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,3,3-trifluoro-2-methoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.