1-Ethynyl-3,5-bis(trifluoromethyl)benzene
TL;DR: 1-Ethynyl-3,5-bis(trifluoromethyl)benzene (CAS 88444-81-9) is a chemical compound with molecular formula C10H4F6 and molecular weight 238.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-3,5-bis(trifluoromethyl)benzene
Also Known As: 1-Ethynyl-3,5-bis(trifluoromethyl)benzene, 3',5'-Bis(trifluoromethyl)phenylacetylene, 3,5-BIS(TRIFLUOROMETHYL)PHENYLACETYLENE, 3',5'-Bis-trifluoromethylphenyl acetylene, salor-int l308668-1ea
| Molecular Formula | C10H4F6 |
|---|---|
| Molecular Weight | 238.02 g/mol |
| LogP | 3.7055 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.02171 |
| Heavy Atoms | 16 |
| Complexity | 399.8432 |
Chemical Identifiers
| CAS Number | 88444-81-9 |
|---|---|
| SMILES | C#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Product Overview
1-Ethynyl-3,5-bis(trifluoromethyl)benzene (CAS 88444-81-9), with molecular formula C10H4F6 and molecular weight 238.02 g/mol. IUPAC: 1-ethynyl-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene
Property Insights of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene
The XLogP value of 3.7055 indicates that 1-Ethynyl-3,5-bis(trifluoromethyl)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-Ethynyl-3,5-bis(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-3,5-bis(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-3,5-bis(trifluoromethyl)benzene?
The CAS number of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene is 88444-81-9.
What is the molecular formula of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene?
The molecular formula of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene is C10H4F6.
What is the molecular weight of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene?
The molecular weight of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene is 238.02 g/mol.
Where can I buy 1-Ethynyl-3,5-bis(trifluoromethyl)benzene?
You can request a quote for 1-Ethynyl-3,5-bis(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-3,5-bis(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-3,5-bis(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.