2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile
TL;DR: 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile (CAS 477867-25-7) is a chemical compound with molecular formula C15H10F3NO and molecular weight 277.07144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylphenoxy)-5-(trifluoromethyl)benzonitrile
Also Known As: 2-(4-methylphenoxy)-5-(trifluoromethyl)benzonitrile, 1L-615S, 2-(4-methylphenoxy)-5-(trifluoromethyl)benzenecarbonitrile
Technical Specifications
| Molecular Formula | C15H10F3NO |
| Molecular Weight | 277.07144 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.07144 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N |
| InChIKey | FDYSEHARNKOTDB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile
Property Insights of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile
The XLogP value of 4.4 indicates that 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile?
The CAS number of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile is 477867-25-7.
What is the molecular formula of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile?
The molecular formula of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile is C15H10F3NO.
What is the molecular weight of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile?
The molecular weight of 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile is 277.07144 g/mol.
Where can I buy 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile?
You can request a quote for 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methylphenoxy)-5-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.