4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile
TL;DR: 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile (CAS 121190-46-3) is a chemical compound with molecular formula C11H6F4N2O and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(2,2,3,3-Tetrafluoropropoxy)phthalonitrile, 4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile, 4-(2,2,3,3-tetrafluoropropoxy), J3.350.026B, 4-(2,2,3,3-Tetrafluoropropyloxy)phthalonitrile
| Molecular Formula | C11H6F4N2O |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.70916 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.04163 |
| Heavy Atoms | 18 |
| Complexity | 516.755 |
Chemical Identifiers
| CAS Number | 121190-46-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1OCC(C(F)F)(F)F)C#N)C#N |
Product Overview
4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile (CAS 121190-46-3), with molecular formula C11H6F4N2O and molecular weight 258.04 g/mol. IUPAC: 4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile
Property Insights of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile
The XLogP value of 2.70916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile. With a topological polar surface area (TPSA) of 56.81 Ų, 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 3 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 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile?
The CAS number of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile is 121190-46-3.
What is the molecular formula of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile?
The molecular formula of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile is C11H6F4N2O.
What is the molecular weight of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile?
The molecular weight of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile is 258.04 g/mol.
Where can I buy 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile?
You can request a quote for 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.