2-(3-(Trifluoromethoxy)phenyl)acetonitrile
TL;DR: 2-(3-(Trifluoromethoxy)phenyl)acetonitrile (CAS 108307-56-8) is a chemical compound with molecular formula C9H6F3NO and molecular weight 201.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(trifluoromethoxy)phenyl]acetonitrile
Also Known As: 3-(Trifluoromethoxy)phenylacetonitrile, 3-(trifluoromethoxy)benzyl cyanide, 2-[3-(trifluoromethoxy)phenyl]acetonitrile, (3-Trifluoromethoxyphenyl)acetonitrile, 3-trifluoromethoxybenzyl cyanide
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6F3NO |
| Molecular Weight | 201.04015 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.04015 Da |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)CC#N |
| InChIKey | WZLPHJZVNJXHPV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-(Trifluoromethoxy)phenyl)acetonitrile
Property Insights of 2-(3-(Trifluoromethoxy)phenyl)acetonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(Trifluoromethoxy)phenyl)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(3-(Trifluoromethoxy)phenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(Trifluoromethoxy)phenyl)acetonitrile 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-(3-(Trifluoromethoxy)phenyl)acetonitrile?
The CAS number of 2-(3-(Trifluoromethoxy)phenyl)acetonitrile is 108307-56-8.
What is the molecular formula of 2-(3-(Trifluoromethoxy)phenyl)acetonitrile?
The molecular formula of 2-(3-(Trifluoromethoxy)phenyl)acetonitrile is C9H6F3NO.
What is the molecular weight of 2-(3-(Trifluoromethoxy)phenyl)acetonitrile?
The molecular weight of 2-(3-(Trifluoromethoxy)phenyl)acetonitrile is 201.04015 g/mol.
Where can I buy 2-(3-(Trifluoromethoxy)phenyl)acetonitrile?
You can request a quote for 2-(3-(Trifluoromethoxy)phenyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-(Trifluoromethoxy)phenyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3-(Trifluoromethoxy)phenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.