4-Amino-2-fluorobenzotrifluoride
TL;DR: 4-Amino-2-fluorobenzotrifluoride (CAS 443-41-4) is a chemical compound with molecular formula C7H5F4N and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-4-(trifluoromethyl)aniline
Also Known As: 4-Amino-2-fluorobenzotrifluoride, 3-fluoro-4-(trifluoromethyl)aniline, 3-fluoro-4-trifluoromethylaniline, 2-FLUORO-4-AMINO BENZOTRIFLUORIDE, 3-fluoro-4-trifluoromethyl-phenylamine
| Molecular Formula | C7H5F4N |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.4267 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.03581 |
| Heavy Atoms | 12 |
| Complexity | 291.94812 |
Chemical Identifiers
| CAS Number | 443-41-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)F)C(F)(F)F |
Product Overview
4-Amino-2-fluorobenzotrifluoride (CAS 443-41-4), with molecular formula C7H5F4N and molecular weight 179.04 g/mol. IUPAC: 3-fluoro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 4-Amino-2-fluorobenzotrifluoride
Property Insights of 4-Amino-2-fluorobenzotrifluoride
The XLogP value of 2.4267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-fluorobenzotrifluoride. With a topological polar surface area (TPSA) of 26.02 Ų, 4-Amino-2-fluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2-fluorobenzotrifluoride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Amino-2-fluorobenzotrifluoride?
The CAS number of 4-Amino-2-fluorobenzotrifluoride is 443-41-4.
What is the molecular formula of 4-Amino-2-fluorobenzotrifluoride?
The molecular formula of 4-Amino-2-fluorobenzotrifluoride is C7H5F4N.
What is the molecular weight of 4-Amino-2-fluorobenzotrifluoride?
The molecular weight of 4-Amino-2-fluorobenzotrifluoride is 179.04 g/mol.
Where can I buy 4-Amino-2-fluorobenzotrifluoride?
You can request a quote for 4-Amino-2-fluorobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-fluorobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-fluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.