Pentafluorophenol
TL;DR: Pentafluorophenol (CAS 771-61-9) is a chemical compound with molecular formula C6HF5O and molecular weight 183.99475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5,6-pentafluorophenol
Also Known As: PENTAFLUOROPHENOL, 2,3,4,5,6-Pentafluorophenol, Perfluorophenol, Phenol, pentafluoro-, pentafluoro phenol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HF5O |
| Molecular Weight | 183.99475 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.99475 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| Appearance | solid |
| Purity | ≥99% |
| Melting Point | 34.0 |
| Boiling Point | 143.0 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)O |
| InChIKey | XBNGYFFABRKICK-UHFFFAOYSA-N |
Product Description
Applications: Application Pentafluorophenol can be used as a reactant to synthesize pentafluorophenyl esters from: N-protected amino acid in the presence of dicyclohexylcarbodiimide and ethyl acetate. t-Butoxycarbonyl-L-alanylglycinein the presence of 1-ethyl-(3-dimethylaminopropyl)carbodiimide hydrochloride[1]. Aliphatic dicarboxylic acids in the presence of pyridine, diisopropylcarbodiimide, and acetonitrile[2]. It can also be used as a reactant to synthesize pentafluorophenyl formate which can be used as
Chemical Property Profile of Pentafluorophenol
Property Insights of Pentafluorophenol
The XLogP value of 3.2 indicates that Pentafluorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Pentafluorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentafluorophenol?
The CAS number of Pentafluorophenol is 771-61-9.
What is the molecular formula of Pentafluorophenol?
The molecular formula of Pentafluorophenol is C6HF5O.
What is the molecular weight of Pentafluorophenol?
The molecular weight of Pentafluorophenol is 183.99475 g/mol.
What does Pentafluorophenol look like?
Pentafluorophenol appears as solid.
What are the applications of Pentafluorophenol?
Application Pentafluorophenol can be used as a reactant to synthesize pentafluorophenyl esters from: N-protected amino acid in the presence of dicyclohexylcarbodiimide and ethyl acetate. t-Butoxycarbonyl-L-alanylglycinein the presence of 1-ethyl-(3-dimethylaminopropyl)carbodiimide...
Where can I buy Pentafluorophenol?
You can request a quote for Pentafluorophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentafluorophenol?
Yes, CoreyChem provides custom synthesis services for Pentafluorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.