4-Hydroxy-3-(trifluoromethyl)benzonitrile
TL;DR: 4-Hydroxy-3-(trifluoromethyl)benzonitrile (CAS 124811-71-8) is a chemical compound with molecular formula C8H4F3NO and molecular weight 187.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-(trifluoromethyl)benzonitrile
Also Known As: 4-hydroxy-3-(trifluoromethyl)benzonitrile, Benzonitrile, 4-hydroxy-3-(trifluoromethyl)-, 5-Cyano-2-hydroxybenzotrifluoride, WT509, 4-Cyano-2-(trifluoromethyl)phenol
Technical Specifications
| Molecular Formula | C8H4F3NO |
| Molecular Weight | 187.0245 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.0245 Da |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
| SMILES | C1=CC(=C(C=C1C#N)C(F)(F)F)O |
| InChIKey | QXIFYONUKBXFTH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-3-(trifluoromethyl)benzonitrile
Property Insights of 4-Hydroxy-3-(trifluoromethyl)benzonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-(trifluoromethyl)benzonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 4-Hydroxy-3-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-(trifluoromethyl)benzonitrile has 1 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 4-Hydroxy-3-(trifluoromethyl)benzonitrile?
The CAS number of 4-Hydroxy-3-(trifluoromethyl)benzonitrile is 124811-71-8.
What is the molecular formula of 4-Hydroxy-3-(trifluoromethyl)benzonitrile?
The molecular formula of 4-Hydroxy-3-(trifluoromethyl)benzonitrile is C8H4F3NO.
What is the molecular weight of 4-Hydroxy-3-(trifluoromethyl)benzonitrile?
The molecular weight of 4-Hydroxy-3-(trifluoromethyl)benzonitrile is 187.0245 g/mol.
Where can I buy 4-Hydroxy-3-(trifluoromethyl)benzonitrile?
You can request a quote for 4-Hydroxy-3-(trifluoromethyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-3-(trifluoromethyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-3-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.