1-Ethynyl-4-(trifluoromethoxy)benzene
TL;DR: 1-Ethynyl-4-(trifluoromethoxy)benzene (CAS 160542-02-9) is a chemical compound with molecular formula C9H5F3O and molecular weight 186.02925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethynyl-4-(trifluoromethoxy)benzene
Also Known As: 1-ethynyl-4-(trifluoromethoxy)benzene, 4-(TRIFLUOROMETHOXY)PHENYLACETYLENE, Benzene, 1-ethynyl-4-(trifluoromethoxy)-, 1-Ethynyl-4-(trifluoromethoxy)-Benzene, 1-ethynyl-4-trifluoromethoxybenzene
Technical Specifications
| Molecular Formula | C9H5F3O |
| Molecular Weight | 186.02925 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.02925 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | C#CC1=CC=C(C=C1)OC(F)(F)F |
| InChIKey | RWWGGRCLMVYXPM-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethynyl-4-(trifluoromethoxy)benzene
Property Insights of 1-Ethynyl-4-(trifluoromethoxy)benzene
The XLogP value of 3.3 indicates that 1-Ethynyl-4-(trifluoromethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Ethynyl-4-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-4-(trifluoromethoxy)benzene 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 1-Ethynyl-4-(trifluoromethoxy)benzene?
The CAS number of 1-Ethynyl-4-(trifluoromethoxy)benzene is 160542-02-9.
What is the molecular formula of 1-Ethynyl-4-(trifluoromethoxy)benzene?
The molecular formula of 1-Ethynyl-4-(trifluoromethoxy)benzene is C9H5F3O.
What is the molecular weight of 1-Ethynyl-4-(trifluoromethoxy)benzene?
The molecular weight of 1-Ethynyl-4-(trifluoromethoxy)benzene is 186.02925 g/mol.
Where can I buy 1-Ethynyl-4-(trifluoromethoxy)benzene?
You can request a quote for 1-Ethynyl-4-(trifluoromethoxy)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethynyl-4-(trifluoromethoxy)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Ethynyl-4-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.