4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione
TL;DR: 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione (CAS 165328-11-0) is a chemical compound with molecular formula C11H10F2O2 and molecular weight 212.06488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-difluoro-1-(4-methylphenyl)butane-1,3-dione
Also Known As: 4,4-difluoro-1-(4-methylphenyl)butane-1,3-dione, 4,4-DIFLUORO-1-(P-TOLYL)BUTANE-1,3-DIONE, TOS-BB-1272, 1,3-Butanedione, 4,4-difluoro-1-(4-methylphenyl)-, 1,1-difluoro-4-(4'-methylphenyl)butane-2,4-dione
Technical Specifications
| Molecular Formula | C11H10F2O2 |
| Molecular Weight | 212.06488 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06488 Da |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C(F)F |
| InChIKey | JPMQITHKRYMPHA-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione
Property Insights of 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione 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 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione?
The CAS number of 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione is 165328-11-0.
What is the molecular formula of 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione?
The molecular formula of 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione is C11H10F2O2.
What is the molecular weight of 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione?
The molecular weight of 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione is 212.06488 g/mol.
Where can I buy 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione?
You can request a quote for 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 4,4-Difluoro-1-(4-methylphenyl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.