1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene
TL;DR: 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene (CAS 13509-88-1) is a chemical compound with molecular formula C14H5F5 and molecular weight 268.03113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentafluoro-6-(2-phenylethynyl)benzene
Also Known As: 1,2,3,4,5-pentafluoro-6-(2-phenylethynyl)benzene, 1-Phenyl-2-(pentafluorophenyl)ethyne, 1-Phenyl-2-(pentafluorophenyl)acetylene, 1,2,3,4,5-Pentafluoro-6-(phenylethynyl)benzene, 1-(2,3,4,5,6-Pentafluorophenyl)-2-phenylethyne
Technical Specifications
| Molecular Formula | C14H5F5 |
| Molecular Weight | 268.03113 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.03113 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | C1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | BYKJIXWANUDHRW-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene
Property Insights of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene
The XLogP value of 4.4 indicates that 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene?
The CAS number of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene is 13509-88-1.
What is the molecular formula of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene?
The molecular formula of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene is C14H5F5.
What is the molecular weight of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene?
The molecular weight of 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene is 268.03113 g/mol.
Where can I buy 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene?
You can request a quote for 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1,2,3,4,5-Pentafluoro-6-(2-phenylethynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.