1-(Difluoromethoxy)-4-ethynylbenzene
TL;DR: 1-(Difluoromethoxy)-4-ethynylbenzene (CAS 117144-98-6) is a chemical compound with molecular formula C9H6F2O and molecular weight 168.03867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(difluoromethoxy)-4-ethynylbenzene
Also Known As: 1-(difluoromethoxy)-4-ethynylbenzene, 4-(Difluoromethoxy)phenylacetylene, (4-ethynylphenoxy)difluoromethane, 1-difluoromethoxy-4-ethynylbenzene, 1-difluoromethoxy-4-ethynyl-benzene
Technical Specifications
| Molecular Formula | C9H6F2O |
| Molecular Weight | 168.03867 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.03867 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | C#CC1=CC=C(C=C1)OC(F)F |
| InChIKey | DBBZSMZFFFJZRP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Difluoromethoxy)-4-ethynylbenzene
Property Insights of 1-(Difluoromethoxy)-4-ethynylbenzene
The XLogP value of 3.1 indicates that 1-(Difluoromethoxy)-4-ethynylbenzene 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-(Difluoromethoxy)-4-ethynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Difluoromethoxy)-4-ethynylbenzene has 0 hydrogen bond donor(s) and 3 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-(Difluoromethoxy)-4-ethynylbenzene?
The CAS number of 1-(Difluoromethoxy)-4-ethynylbenzene is 117144-98-6.
What is the molecular formula of 1-(Difluoromethoxy)-4-ethynylbenzene?
The molecular formula of 1-(Difluoromethoxy)-4-ethynylbenzene is C9H6F2O.
What is the molecular weight of 1-(Difluoromethoxy)-4-ethynylbenzene?
The molecular weight of 1-(Difluoromethoxy)-4-ethynylbenzene is 168.03867 g/mol.
Where can I buy 1-(Difluoromethoxy)-4-ethynylbenzene?
You can request a quote for 1-(Difluoromethoxy)-4-ethynylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Difluoromethoxy)-4-ethynylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(Difluoromethoxy)-4-ethynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.