1-(Pentafluorophenyl)ethanol
TL;DR: 1-(Pentafluorophenyl)ethanol (CAS 830-50-2) is a chemical compound with molecular formula C8H5F5O and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4,5,6-pentafluorophenyl)ethanol
Also Known As: 1-(Pentafluorophenyl)ethanol, 1-(perfluorophenyl)ethanol, 1-(2,3,4,5,6-Pentafluorophenyl)ethanol, 1-(Pentafluorophenyl)ethanol ,, 1-(PENTAFLUOROPHENYL)ETHANOL, 97
| Molecular Formula | C8H5F5O |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.02606 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 830-50-2 |
|---|---|
| SMILES | CC(C1=C(C(=C(C(=C1F)F)F)F)F)O |
| InChIKey | WYUNHWKTLDBPLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Pentafluorophenyl)ethanol (CAS 830-50-2), with molecular formula C8H5F5O and molecular weight 212.03 g/mol. IUPAC: 1-(2,3,4,5,6-pentafluorophenyl)ethanol.
Chemical Property Profile of 1-(Pentafluorophenyl)ethanol
Property Insights of 1-(Pentafluorophenyl)ethanol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pentafluorophenyl)ethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(Pentafluorophenyl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pentafluorophenyl)ethanol 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
Frequently Asked Questions
What is the CAS number of 1-(Pentafluorophenyl)ethanol?
The CAS number of 1-(Pentafluorophenyl)ethanol is 830-50-2.
What is the molecular formula of 1-(Pentafluorophenyl)ethanol?
The molecular formula of 1-(Pentafluorophenyl)ethanol is C8H5F5O.
What is the molecular weight of 1-(Pentafluorophenyl)ethanol?
The molecular weight of 1-(Pentafluorophenyl)ethanol is 212.03 g/mol.
Where can I buy 1-(Pentafluorophenyl)ethanol?
You can request a quote for 1-(Pentafluorophenyl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pentafluorophenyl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pentafluorophenyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.