![4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile structure](/static/products/4535/453557-46-5.webp)
4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile
TL;DR: 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile (CAS 453557-46-5) is a chemical compound with molecular formula C14H8F3NO and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)phenoxy]benzonitrile
Also Known As: 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile, 4-[3-(trifluoromethyl)phenoxy]benzonitrile, 4-(3-(Trifluoromethyl)phenoxy)benzonitrile, 5-hydroxy-2-nitropropiophenone, 3-(4-Cyanophenoxy)benzotrifluoride
| Molecular Formula | C14H8F3NO |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 4.36938 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0558 |
| Heavy Atoms | 19 |
| Complexity | 611.8236 |
Chemical Identifiers
| CAS Number | 453557-46-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)C#N)C(F)(F)F |
Product Overview
4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile (CAS 453557-46-5), with molecular formula C14H8F3NO and molecular weight 263.06 g/mol. IUPAC: 4-[3-(trifluoromethyl)phenoxy]benzonitrile.
Chemical Property Profile of 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile
Property Insights of 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile
The XLogP value of 4.36938 indicates that 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile has 0 hydrogen bond donor(s) and 2 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-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile?
The CAS number of 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile is 453557-46-5.
What is the molecular formula of 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile?
The molecular formula of 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile is C14H8F3NO.
What is the molecular weight of 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile?
The molecular weight of 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile is 263.06 g/mol.
Where can I buy 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile?
You can request a quote for 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(Trifluoromethyl)phenoxy]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.