4-Amino-2,6-difluorobenzotrifluoride
TL;DR: 4-Amino-2,6-difluorobenzotrifluoride (CAS 123950-44-7) is a chemical compound with molecular formula C7H4F5N and molecular weight 197.02638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-difluoro-4-(trifluoromethyl)aniline
Also Known As: 3,5-difluoro-4-(trifluoromethyl)aniline, 4-Amino-2,6-difluorobenzotrifluoride, Benzenamine, 3,5-difluoro-4-(trifluoromethyl)-, 3,5-Difluoro-4-trifluoromethylaniline, 3,5-difluoro-4-(trifluoromethyl)benzenamine
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4F5N |
| Molecular Weight | 197.02638 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.02638 Da |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
| SMILES | C1=C(C=C(C(=C1F)C(F)(F)F)F)N |
| InChIKey | YJWFKYOOAXZKQA-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-2,6-difluorobenzotrifluoride
Property Insights of 4-Amino-2,6-difluorobenzotrifluoride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,6-difluorobenzotrifluoride. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Amino-2,6-difluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2,6-difluorobenzotrifluoride has 1 hydrogen bond donor(s) and 6 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-2,6-difluorobenzotrifluoride?
The CAS number of 4-Amino-2,6-difluorobenzotrifluoride is 123950-44-7.
What is the molecular formula of 4-Amino-2,6-difluorobenzotrifluoride?
The molecular formula of 4-Amino-2,6-difluorobenzotrifluoride is C7H4F5N.
What is the molecular weight of 4-Amino-2,6-difluorobenzotrifluoride?
The molecular weight of 4-Amino-2,6-difluorobenzotrifluoride is 197.02638 g/mol.
Where can I buy 4-Amino-2,6-difluorobenzotrifluoride?
You can request a quote for 4-Amino-2,6-difluorobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-2,6-difluorobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 4-Amino-2,6-difluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.