1,1,1,4,4,5,5,5-Octafluoro-2-pentyne
TL;DR: 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne (CAS 378-22-3) is a chemical compound with molecular formula C5F8 and molecular weight 211.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,4,4,5,5,5-octafluoropent-2-yne
Also Known As: perfluoro-2-pentyne, 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne, OCTAFLUOROPENT-2-YNE, 1,1,1,4,4,5,5,5-octafluoropent-2-yne, 1,1,1,4,4,5,5,5-octafluoro-pent-2-yne
| Molecular Formula | C5F8 |
|---|---|
| Molecular Weight | 211.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.98723 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 378-22-3 |
|---|---|
| SMILES | C(#CC(F)(F)F)C(C(F)(F)F)(F)F |
| InChIKey | WDTCMFNXBZHCPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,4,4,5,5,5-Octafluoro-2-pentyne (CAS 378-22-3), with molecular formula C5F8 and molecular weight 211.99 g/mol. IUPAC: 1,1,1,4,4,5,5,5-octafluoropent-2-yne.
Chemical Property Profile of 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne
Property Insights of 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne
The XLogP value of 3.1 indicates that 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne has 0 hydrogen bond donor(s) and 8 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 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne?
The CAS number of 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne is 378-22-3.
What is the molecular formula of 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne?
The molecular formula of 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne is C5F8.
What is the molecular weight of 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne?
The molecular weight of 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne is 211.99 g/mol.
Where can I buy 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne?
You can request a quote for 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,4,4,5,5,5-Octafluoro-2-pentyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.