2-Fluoro-3-methylbutanoic acid
TL;DR: 2-Fluoro-3-methylbutanoic acid (CAS 1578-62-7) is a chemical compound with molecular formula C5H9FO2 and molecular weight 120.058655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-3-methylbutanoic acid
Also Known As: 2-fluoro-3-methylbutanoic acid, 2-Fluoro-3-methylbutyric acid, Butanoic acid, 2-fluoro-3-methyl-, 2-Fluoro-3-methylbutanoicacid, 2-fluoro-3-methyl-butanoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9FO2 |
| Molecular Weight | 120.058655 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.058655 Da |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
| SMILES | CC(C)C(C(=O)O)F |
| InChIKey | DPPSUGSPUHMWEH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-3-methylbutanoic acid
Property Insights of 2-Fluoro-3-methylbutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Fluoro-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-3-methylbutanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Fluoro-3-methylbutanoic acid?
The CAS number of 2-Fluoro-3-methylbutanoic acid is 1578-62-7.
What is the molecular formula of 2-Fluoro-3-methylbutanoic acid?
The molecular formula of 2-Fluoro-3-methylbutanoic acid is C5H9FO2.
What is the molecular weight of 2-Fluoro-3-methylbutanoic acid?
The molecular weight of 2-Fluoro-3-methylbutanoic acid is 120.058655 g/mol.
Where can I buy 2-Fluoro-3-methylbutanoic acid?
You can request a quote for 2-Fluoro-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.