2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile
TL;DR: 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile (CAS 15895-67-7) is a chemical compound with molecular formula C13F9NO and molecular weight 356.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzonitrile
Also Known As: 4-Cyano-nonafluorodiphenyl-ether, 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile, 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzonitrile, 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzonit
| Molecular Formula | C13F9NO |
|---|---|
| Molecular Weight | 356.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.9836 |
| Heavy Atoms | 24 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 15895-67-7 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)OC2=C(C(=C(C(=C2F)F)F)F)F)F)F |
| InChIKey | ZLOKLQAVAHSIPC-UHFFFAOYSA-N |
Product Overview
2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile (CAS 15895-67-7), with molecular formula C13F9NO and molecular weight 356.98 g/mol. IUPAC: 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzonitrile.
Chemical Property Profile of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile
Property Insights of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile
The XLogP value of 4.1 indicates that 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile?
The CAS number of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile is 15895-67-7.
What is the molecular formula of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile?
The molecular formula of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile is C13F9NO.
What is the molecular weight of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile?
The molecular weight of 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile is 356.98 g/mol.
Where can I buy 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile?
You can request a quote for 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluoro-4-(pentafluorophenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.