3,5-Bis(trifluoromethyl)cinnamonitrile
TL;DR: 3,5-Bis(trifluoromethyl)cinnamonitrile (CAS 1027717-63-0) is a chemical compound with molecular formula C11H5F6N and molecular weight 265.03262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: Maybridge1_002973, 3,5-bis(trifluoromethyl)cinnamonitrile, DivK1c_001725, 3-(3,5-Bis(trifluoromethyl)phenyl)acrylonitrile, CDS1_000685
Technical Specifications
| Molecular Formula | C11H5F6N |
| Molecular Weight | 265.03262 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.03262 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=CC#N |
| InChIKey | XZINYAZSRZTYPY-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(trifluoromethyl)cinnamonitrile
Property Insights of 3,5-Bis(trifluoromethyl)cinnamonitrile
The XLogP value of 3.8 indicates that 3,5-Bis(trifluoromethyl)cinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3,5-Bis(trifluoromethyl)cinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)cinnamonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Bis(trifluoromethyl)cinnamonitrile?
The CAS number of 3,5-Bis(trifluoromethyl)cinnamonitrile is 1027717-63-0.
What is the molecular formula of 3,5-Bis(trifluoromethyl)cinnamonitrile?
The molecular formula of 3,5-Bis(trifluoromethyl)cinnamonitrile is C11H5F6N.
What is the molecular weight of 3,5-Bis(trifluoromethyl)cinnamonitrile?
The molecular weight of 3,5-Bis(trifluoromethyl)cinnamonitrile is 265.03262 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)cinnamonitrile?
You can request a quote for 3,5-Bis(trifluoromethyl)cinnamonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(trifluoromethyl)cinnamonitrile?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(trifluoromethyl)cinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.