1-Ethynyl-3,5-difluorobenzene
TL;DR: 1-Ethynyl-3,5-difluorobenzene (CAS 151361-87-4) is a chemical compound with molecular formula C8H4F2 and molecular weight 138.0281 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethynyl-3,5-difluorobenzene
Also Known As: 1-Ethynyl-3,5-difluorobenzene, 3,5-Difluorophenylacetylene, 1-ethynyl-3,5-difluoro-benzene, 3,5-Difluorophenylethyne, BENZENE, 1-ETHYNYL-3,5-DIFLUORO-
Technical Specifications
| Molecular Formula | C8H4F2 |
| Molecular Weight | 138.0281 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0281 Da |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
| SMILES | C#CC1=CC(=CC(=C1)F)F |
| InChIKey | OTDGZDMGSFBZLI-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethynyl-3,5-difluorobenzene
Property Insights of 1-Ethynyl-3,5-difluorobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-3,5-difluorobenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethynyl-3,5-difluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-3,5-difluorobenzene 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 1-Ethynyl-3,5-difluorobenzene?
The CAS number of 1-Ethynyl-3,5-difluorobenzene is 151361-87-4.
What is the molecular formula of 1-Ethynyl-3,5-difluorobenzene?
The molecular formula of 1-Ethynyl-3,5-difluorobenzene is C8H4F2.
What is the molecular weight of 1-Ethynyl-3,5-difluorobenzene?
The molecular weight of 1-Ethynyl-3,5-difluorobenzene is 138.0281 g/mol.
Where can I buy 1-Ethynyl-3,5-difluorobenzene?
You can request a quote for 1-Ethynyl-3,5-difluorobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethynyl-3,5-difluorobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Ethynyl-3,5-difluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.