Pentafluoromethoxybenzene
TL;DR: Pentafluoromethoxybenzene (CAS 389-40-2) is a chemical compound with molecular formula C7H3F5O and molecular weight 198.01 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-methoxybenzene
Also Known As: 2,3,4,5,6-Pentafluoroanisole, Pentafluoroanisole, Pentafluoromethoxybenzene, Benzene, pentafluoromethoxy-, Pentafluorophenyl methyl ether
| Molecular Formula | C7H3F5O |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0104 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 389-40-2 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | ZRQUIRABLIQJRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentafluoromethoxybenzene (CAS 389-40-2), with molecular formula C7H3F5O and molecular weight 198.01 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-methoxybenzene.
Chemical Property Profile of Pentafluoromethoxybenzene
Property Insights of Pentafluoromethoxybenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluoromethoxybenzene. With a topological polar surface area (TPSA) of 9.2 Ų, Pentafluoromethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoromethoxybenzene has 0 hydrogen bond donor(s) and 6 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 Pentafluoromethoxybenzene?
The CAS number of Pentafluoromethoxybenzene is 389-40-2.
What is the molecular formula of Pentafluoromethoxybenzene?
The molecular formula of Pentafluoromethoxybenzene is C7H3F5O.
What is the molecular weight of Pentafluoromethoxybenzene?
The molecular weight of Pentafluoromethoxybenzene is 198.01 g/mol.
Where can I buy Pentafluoromethoxybenzene?
You can request a quote for Pentafluoromethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoromethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoromethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.