Pentafluorophenylacetylene
TL;DR: Pentafluorophenylacetylene (CAS 5122-07-6) is a chemical compound with molecular formula C8HF5 and molecular weight 192.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-2,3,4,5,6-pentafluorobenzene
Also Known As: Pentafluorophenylacetylene, 1-ethynyl-2,3,4,5,6-pentafluorobenzene, Ethynylpentafluorobenzene, 1-ethynyl-2,3,4,5,6-pentafluoro-benzene, Pentafluorophenylacetylide
| Molecular Formula | C8HF5 |
|---|---|
| Molecular Weight | 192.00 g/mol |
| LogP | 2.3634 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.99985 |
| Heavy Atoms | 13 |
| Complexity | 372.971 |
Chemical Identifiers
| CAS Number | 5122-07-6 |
|---|---|
| SMILES | C#CC1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
Pentafluorophenylacetylene (CAS 5122-07-6), with molecular formula C8HF5 and molecular weight 192.00 g/mol. IUPAC: 1-ethynyl-2,3,4,5,6-pentafluorobenzene.
Chemical Property Profile of Pentafluorophenylacetylene
Property Insights of Pentafluorophenylacetylene
The XLogP value of 2.3634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluorophenylacetylene. With a topological polar surface area (TPSA) of 0.0 Ų, Pentafluorophenylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenylacetylene 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 Pentafluorophenylacetylene?
The CAS number of Pentafluorophenylacetylene is 5122-07-6.
What is the molecular formula of Pentafluorophenylacetylene?
The molecular formula of Pentafluorophenylacetylene is C8HF5.
What is the molecular weight of Pentafluorophenylacetylene?
The molecular weight of Pentafluorophenylacetylene is 192.00 g/mol.
Where can I buy Pentafluorophenylacetylene?
You can request a quote for Pentafluorophenylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorophenylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorophenylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.