Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-
TL;DR: Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- (CAS 141029-61-0) is a chemical compound with molecular formula C11H3F9 and molecular weight 306.0091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethynyl-2,4,5-tris(trifluoromethyl)benzene
Also Known As: 1-ethynyl-2,4,5-tris(trifluoromethyl)benzene, Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-, [2,4,5-Tris(trifluoromethyl)phenyl]ethyne, J1.664.843D, 2,4,5-TRIS(TRIFLUOROMETHYL)PHENYLACETYLENE
Technical Specifications
| Molecular Formula | C11H3F9 |
| Molecular Weight | 306.0091 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.0091 Da |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
| SMILES | C#CC1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F |
| InChIKey | GUOTUAGRQOACJN-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-
Property Insights of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-
The XLogP value of 4.8 indicates that Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-?
The CAS number of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- is 141029-61-0.
What is the molecular formula of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-?
The molecular formula of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- is C11H3F9.
What is the molecular weight of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-?
The molecular weight of Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- is 306.0091 g/mol.
Where can I buy Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-?
You can request a quote for Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1-ethynyl-2,4,5-tris(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.