![3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile structure](/static/products/1365/136562-66-8.webp)
3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile
TL;DR: 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile (CAS 136562-66-8) is a chemical compound with molecular formula C16H9ClF3NO2 and molecular weight 339.0274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3-oxopropanenitrile
Also Known As: 3-{2-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile, 3-[2-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3-oxopropanenitrile, 3-[2-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3-oxo-propanenitrile
Technical Specifications
| Molecular Formula | C16H9ClF3NO2 |
| Molecular Weight | 339.0274 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.0274 Da |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC#N)OC2=CC(=C(C=C2)Cl)C(F)(F)F |
| InChIKey | DHYYXVLGMYEIMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile
Property Insights of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile
The XLogP value of 4.5 indicates that 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
The CAS number of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile is 136562-66-8.
What is the molecular formula of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
The molecular formula of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile is C16H9ClF3NO2.
What is the molecular weight of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
The molecular weight of 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile is 339.0274 g/mol.
Where can I buy 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
You can request a quote for 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-{2-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.