3-Amino-2-fluorobenzotrifluoride
TL;DR: 3-Amino-2-fluorobenzotrifluoride (CAS 123973-25-1) is a chemical compound with molecular formula C7H5F4N and molecular weight 179.03581 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-3-(trifluoromethyl)aniline
Also Known As: 3-Amino-2-fluorobenzotrifluoride, 2-Fluoro-3-(trifluoromethyl)aniline, 2-fluoro-3-trifluoromethylaniline, Benzenamine, 2-fluoro-3-(trifluoromethyl)-, 2-fluoro-3-trifluoromethyl aniline
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5F4N |
| Molecular Weight | 179.03581 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.03581 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | C1=CC(=C(C(=C1)N)F)C(F)(F)F |
| InChIKey | YKPDYPPZLUZONK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-2-fluorobenzotrifluoride
Property Insights of 3-Amino-2-fluorobenzotrifluoride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-fluorobenzotrifluoride. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Amino-2-fluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-2-fluorobenzotrifluoride 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 3-Amino-2-fluorobenzotrifluoride?
The CAS number of 3-Amino-2-fluorobenzotrifluoride is 123973-25-1.
What is the molecular formula of 3-Amino-2-fluorobenzotrifluoride?
The molecular formula of 3-Amino-2-fluorobenzotrifluoride is C7H5F4N.
What is the molecular weight of 3-Amino-2-fluorobenzotrifluoride?
The molecular weight of 3-Amino-2-fluorobenzotrifluoride is 179.03581 g/mol.
Where can I buy 3-Amino-2-fluorobenzotrifluoride?
You can request a quote for 3-Amino-2-fluorobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-2-fluorobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 3-Amino-2-fluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.