![3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile structure](/static/products/1024/1024915-24-9.webp)
3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile
TL;DR: 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile (CAS 1024915-24-9) is a chemical compound with molecular formula C18H9ClF6N2O and molecular weight 418.03076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile
Also Known As: 3-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)AMINO)-2-((2-CHLOROPHENYL)CARBONYL)PROP-2-ENENITRILE, 3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile, (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile, 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(2-chlorobenzoyl)prop-2-enenitrile, C18H9ClF6N2O
Technical Specifications
| Molecular Formula | C18H9ClF6N2O |
| Molecular Weight | 418.03076 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.03076 Da |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N)Cl |
| InChIKey | XTBDOWREAPUTGF-UHFFFAOYSA-N |
Chemical Property Profile of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile
Property Insights of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile
The XLogP value of 6.3 indicates that 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile?
The CAS number of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile is 1024915-24-9.
What is the molecular formula of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile?
The molecular formula of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile is C18H9ClF6N2O.
What is the molecular weight of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile?
The molecular weight of 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile is 418.03076 g/mol.
Where can I buy 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile?
You can request a quote for 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-[3,5-Bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.