Methyl 2-bromo-3,3,3-trifluoropropanoate
TL;DR: Methyl 2-bromo-3,3,3-trifluoropropanoate (CAS 113816-36-7) is a chemical compound with molecular formula C4H4BrF3O2 and molecular weight 219.93468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-bromo-3,3,3-trifluoropropanoate
Also Known As: methyl 2-bromo-3,3,3-trifluoropropanoate, Methyl 2-bromo-3,3,3-trifluoropropionate, Methyl-2-bromo-3,3,3-trifluoropropionate, methyl2-bromo-3,3,3-trifluoropropanoate, Propanoic acid, 2-bromo-3,3,3-trifluoro-, methyl ester
Technical Specifications
| Molecular Formula | C4H4BrF3O2 |
| Molecular Weight | 219.93468 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.93468 Da |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
| SMILES | COC(=O)C(C(F)(F)F)Br |
| InChIKey | BFNLYVZMYOKODI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-bromo-3,3,3-trifluoropropanoate
Property Insights of Methyl 2-bromo-3,3,3-trifluoropropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-3,3,3-trifluoropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-bromo-3,3,3-trifluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-3,3,3-trifluoropropanoate has 0 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 Methyl 2-bromo-3,3,3-trifluoropropanoate?
The CAS number of Methyl 2-bromo-3,3,3-trifluoropropanoate is 113816-36-7.
What is the molecular formula of Methyl 2-bromo-3,3,3-trifluoropropanoate?
The molecular formula of Methyl 2-bromo-3,3,3-trifluoropropanoate is C4H4BrF3O2.
What is the molecular weight of Methyl 2-bromo-3,3,3-trifluoropropanoate?
The molecular weight of Methyl 2-bromo-3,3,3-trifluoropropanoate is 219.93468 g/mol.
Where can I buy Methyl 2-bromo-3,3,3-trifluoropropanoate?
You can request a quote for Methyl 2-bromo-3,3,3-trifluoropropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-bromo-3,3,3-trifluoropropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-bromo-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.