Allylpentafluorobenzene
TL;DR: Allylpentafluorobenzene (CAS 1736-60-3) is a chemical compound with molecular formula C9H5F5 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene
Also Known As: Allylpentafluorobenzene, 3-(pentafluorophenyl)-1-propene, Benzene, allylpentafluoro-, Pentafluoroallylbenzene, allyl pentafluorobenzene
| Molecular Formula | C9H5F5 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03114 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 1736-60-3 |
|---|---|
| SMILES | C=CCC1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | YBDBTBVNQQBHGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allylpentafluorobenzene (CAS 1736-60-3), with molecular formula C9H5F5 and molecular weight 208.03 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene.
Chemical Property Profile of Allylpentafluorobenzene
Property Insights of Allylpentafluorobenzene
The XLogP value of 3.5 indicates that Allylpentafluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Allylpentafluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylpentafluorobenzene has 0 hydrogen bond donor(s) and 5 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 Allylpentafluorobenzene?
The CAS number of Allylpentafluorobenzene is 1736-60-3.
What is the molecular formula of Allylpentafluorobenzene?
The molecular formula of Allylpentafluorobenzene is C9H5F5.
What is the molecular weight of Allylpentafluorobenzene?
The molecular weight of Allylpentafluorobenzene is 208.03 g/mol.
Where can I buy Allylpentafluorobenzene?
You can request a quote for Allylpentafluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylpentafluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for Allylpentafluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.