1-Ethynyl-2-(trifluoromethyl)benzene
TL;DR: 1-Ethynyl-2-(trifluoromethyl)benzene (CAS 96504-22-2) is a chemical compound with molecular formula C9H5F3 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-2-(trifluoromethyl)benzene
Also Known As: 1-ethynyl-2-(trifluoromethyl)benzene, 2'-Trifluoromethylphenyl acetylene, 2-(Trifluoromethyl)phenylacetylene, 2-Ethynylbenzotrifluoride, 2-Ethynyl trifluorotoluene
| Molecular Formula | C9H5F3 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 2.6867 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.03433 |
| Heavy Atoms | 12 |
| Complexity | 317.2809 |
Chemical Identifiers
| CAS Number | 96504-22-2 |
|---|---|
| SMILES | C#CC1=CC=CC=C1C(F)(F)F |
Product Overview
1-Ethynyl-2-(trifluoromethyl)benzene (CAS 96504-22-2), with molecular formula C9H5F3 and molecular weight 170.03 g/mol. IUPAC: 1-ethynyl-2-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Ethynyl-2-(trifluoromethyl)benzene
Property Insights of 1-Ethynyl-2-(trifluoromethyl)benzene
The XLogP value of 2.6867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-2-(trifluoromethyl)benzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethynyl-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-2-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Ethynyl-2-(trifluoromethyl)benzene?
The CAS number of 1-Ethynyl-2-(trifluoromethyl)benzene is 96504-22-2.
What is the molecular formula of 1-Ethynyl-2-(trifluoromethyl)benzene?
The molecular formula of 1-Ethynyl-2-(trifluoromethyl)benzene is C9H5F3.
What is the molecular weight of 1-Ethynyl-2-(trifluoromethyl)benzene?
The molecular weight of 1-Ethynyl-2-(trifluoromethyl)benzene is 170.03 g/mol.
Where can I buy 1-Ethynyl-2-(trifluoromethyl)benzene?
You can request a quote for 1-Ethynyl-2-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-2-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.