4-Amino-3-(trifluoromethyl)benzonitrile
TL;DR: 4-Amino-3-(trifluoromethyl)benzonitrile (CAS 1246819-81-7) is a chemical compound with molecular formula C8H5F3N2 and molecular weight 186.04048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-(trifluoromethyl)benzonitrile
Also Known As: 2-Amino-5-cyanobenzotrifluoride, 4-amino-3-(trifluoromethyl)benzonitrile, 4-AMINO-3-TRIFLUOROMETHYLBENZONITRILE, Doxibetasol, Not Available
Technical Specifications
| Molecular Formula | C8H5F3N2 |
| Molecular Weight | 186.04048 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.04048 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | C1=CC(=C(C=C1C#N)C(F)(F)F)N |
| InChIKey | MWLZJOBGDXBMBP-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-3-(trifluoromethyl)benzonitrile
Property Insights of 4-Amino-3-(trifluoromethyl)benzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-(trifluoromethyl)benzonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Amino-3-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-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-Amino-3-(trifluoromethyl)benzonitrile?
The CAS number of 4-Amino-3-(trifluoromethyl)benzonitrile is 1246819-81-7.
What is the molecular formula of 4-Amino-3-(trifluoromethyl)benzonitrile?
The molecular formula of 4-Amino-3-(trifluoromethyl)benzonitrile is C8H5F3N2.
What is the molecular weight of 4-Amino-3-(trifluoromethyl)benzonitrile?
The molecular weight of 4-Amino-3-(trifluoromethyl)benzonitrile is 186.04048 g/mol.
Where can I buy 4-Amino-3-(trifluoromethyl)benzonitrile?
You can request a quote for 4-Amino-3-(trifluoromethyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-3-(trifluoromethyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Amino-3-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.