3,5-Difluorotoluene
TL;DR: 3,5-Difluorotoluene (CAS 117358-51-7) is a chemical compound with molecular formula C7H6F2 and molecular weight 128.04376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-difluoro-5-methylbenzene
Also Known As: 3,5-Difluorotoluene, 1,3-difluoro-5-methylbenzene, Benzene, 1,3-difluoro-5-methyl-, 3,5-Difluorotolune, 3,5-Difluoro-toluene
Technical Specifications
| Molecular Formula | C7H6F2 |
| Molecular Weight | 128.04376 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04376 Da |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
| SMILES | CC1=CC(=CC(=C1)F)F |
| InChIKey | YISYUYYETHYYMD-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Difluorotoluene
Property Insights of 3,5-Difluorotoluene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Difluorotoluene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Difluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Difluorotoluene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Difluorotoluene?
The CAS number of 3,5-Difluorotoluene is 117358-51-7.
What is the molecular formula of 3,5-Difluorotoluene?
The molecular formula of 3,5-Difluorotoluene is C7H6F2.
What is the molecular weight of 3,5-Difluorotoluene?
The molecular weight of 3,5-Difluorotoluene is 128.04376 g/mol.
Where can I buy 3,5-Difluorotoluene?
You can request a quote for 3,5-Difluorotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Difluorotoluene?
Yes, CoreyChem provides custom synthesis services for 3,5-Difluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.