Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate
TL;DR: Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate (CAS 115395-78-3) is a chemical compound with molecular formula C8H13FO3 and molecular weight 176.08487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate
Also Known As: methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate, Methyl 2-fluoro-4,4-dimethyl-3-oxo-pentanoate
Technical Specifications
| Molecular Formula | C8H13FO3 |
| Molecular Weight | 176.08487 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08487 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | CC(C)(C)C(=O)C(C(=O)OC)F |
| InChIKey | AOQSLOUDIMUZBD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate
Property Insights of Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate has 0 hydrogen bond donor(s) and 4 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-fluoro-4,4-dimethyl-3-oxopentanoate?
The CAS number of Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate is 115395-78-3.
What is the molecular formula of Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate?
The molecular formula of Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate is C8H13FO3.
What is the molecular weight of Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate?
The molecular weight of Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate is 176.08487 g/mol.
Where can I buy Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate?
You can request a quote for Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-fluoro-4,4-dimethyl-3-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.