2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile
TL;DR: 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile (CAS 15963-72-1) is a chemical compound with molecular formula C19F13NO2 and molecular weight 520.97217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,5-trifluoro-4,6-bis(2,3,4,5,6-pentafluorophenoxy)benzonitrile
Also Known As: 2,4-Bis(pentafluorophenoxy)trifluorobenzonitrile, 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile, 2,3,5-trifluoro-4,6-bis(2,3,4,5,6-pentafluorophenoxy)benzonitrile, 2,3,5-trifluoro-4,6-bis(2,3,4,5,6-pentafluorophenoxy)benzoni
Technical Specifications
| Molecular Formula | C19F13NO2 |
| Molecular Weight | 520.97217 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.97217 Da |
| Heavy Atoms | 35 |
| Complexity | 757.0 |
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)OC2=C(C(=C(C(=C2F)F)F)F)F)F)OC3=C(C(=C(C(=C3F)F)F)F)F |
| InChIKey | JLSNEUUBOPAXIP-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile
Property Insights of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile
The XLogP value of 6.0 indicates that 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile?
The CAS number of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile is 15963-72-1.
What is the molecular formula of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile?
The molecular formula of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile is C19F13NO2.
What is the molecular weight of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile?
The molecular weight of 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile is 520.97217 g/mol.
Where can I buy 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile?
You can request a quote for 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2,3,5-Trifluoro-4,6-bis(pentafluorophenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.