Methyl pentafluoropropionylacetate
TL;DR: Methyl pentafluoropropionylacetate (CAS 104857-88-7) is a chemical compound with molecular formula C6H5F5O3 and molecular weight 220.01588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,4,5,5,5-pentafluoro-3-oxopentanoate
Also Known As: Methyl pentafluoropropionylacetate, methyl 4,4,5,5,5-pentafluoro-3-oxopentanoate, METHYLPENTAFLUOROPROPIONYLACETATE, 2,3-Dimethyl-6-nitroquinoxaline, Methyl pentafluoropropionylacetate 100g
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5F5O3 |
| Molecular Weight | 220.01588 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.01588 Da |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
| SMILES | COC(=O)CC(=O)C(C(F)(F)F)(F)F |
| InChIKey | FGGMNRZYEBHEIR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl pentafluoropropionylacetate
Property Insights of Methyl pentafluoropropionylacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pentafluoropropionylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl pentafluoropropionylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pentafluoropropionylacetate 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 pentafluoropropionylacetate?
The CAS number of Methyl pentafluoropropionylacetate is 104857-88-7.
What is the molecular formula of Methyl pentafluoropropionylacetate?
The molecular formula of Methyl pentafluoropropionylacetate is C6H5F5O3.
What is the molecular weight of Methyl pentafluoropropionylacetate?
The molecular weight of Methyl pentafluoropropionylacetate is 220.01588 g/mol.
Where can I buy Methyl pentafluoropropionylacetate?
You can request a quote for Methyl pentafluoropropionylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl pentafluoropropionylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl pentafluoropropionylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.