![3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile structure](/static/products/866/866152-38-7.png)
3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile
TL;DR: 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile (CAS 866152-38-7) is a chemical compound with molecular formula C16H9F4NO2 and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]-3-oxopropanenitrile
Also Known As: 3-{3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile, 3-[3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]-3-oxopropanenitrile
| Molecular Formula | C16H9F4NO2 |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 4.73318 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.05695 |
| Heavy Atoms | 23 |
| Complexity | 778.3802 |
Chemical Identifiers
| CAS Number | 866152-38-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C(F)(F)F)F)C(=O)CC#N |
Product Overview
3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile (CAS 866152-38-7), with molecular formula C16H9F4NO2 and molecular weight 323.06 g/mol. IUPAC: 3-[3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]-3-oxopropanenitrile.
Chemical Property Profile of 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile
Property Insights of 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile
The XLogP value of 4.73318 indicates that 3-{3-[3-Fluoro-4-(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 50.09 Ų, 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile 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 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
The CAS number of 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile is 866152-38-7.
What is the molecular formula of 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
The molecular formula of 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile is C16H9F4NO2.
What is the molecular weight of 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
The molecular weight of 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile is 323.06 g/mol.
Where can I buy 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
You can request a quote for 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[3-Fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.