5-Amino-2-fluoro-4-nitrobenzotrifluoride
TL;DR: 5-Amino-2-fluoro-4-nitrobenzotrifluoride (CAS 64172-98-1) is a chemical compound with molecular formula C7H4F4N2O2 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-2-nitro-5-(trifluoromethyl)aniline
Also Known As: 5-Amino-2-fluoro-4-nitrobenzotrifluoride, 4-fluoro-2-nitro-5-(trifluoromethyl)aniline, Benzenamine, 4-fluoro-2-nitro-5-(trifluoromethyl)-, NITROTRIFLUOROMETHYLANILINE 1G, NITROTRIFLUOROMETHYLANILINE 5G
| Molecular Formula | C7H4F4N2O2 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.3349 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02089 |
| Heavy Atoms | 15 |
| Complexity | 416.18658 |
Chemical Identifiers
| CAS Number | 64172-98-1 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)[N+](=O)[O-])F)C(F)(F)F |
Product Overview
5-Amino-2-fluoro-4-nitrobenzotrifluoride (CAS 64172-98-1), with molecular formula C7H4F4N2O2 and molecular weight 224.02 g/mol. IUPAC: 4-fluoro-2-nitro-5-(trifluoromethyl)aniline.
Chemical Property Profile of 5-Amino-2-fluoro-4-nitrobenzotrifluoride
Property Insights of 5-Amino-2-fluoro-4-nitrobenzotrifluoride
The XLogP value of 2.3349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-fluoro-4-nitrobenzotrifluoride. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-fluoro-4-nitrobenzotrifluoride. Following Lipinski's Rule of Five, 5-Amino-2-fluoro-4-nitrobenzotrifluoride has 1 hydrogen bond donor(s) and 3 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 5-Amino-2-fluoro-4-nitrobenzotrifluoride?
The CAS number of 5-Amino-2-fluoro-4-nitrobenzotrifluoride is 64172-98-1.
What is the molecular formula of 5-Amino-2-fluoro-4-nitrobenzotrifluoride?
The molecular formula of 5-Amino-2-fluoro-4-nitrobenzotrifluoride is C7H4F4N2O2.
What is the molecular weight of 5-Amino-2-fluoro-4-nitrobenzotrifluoride?
The molecular weight of 5-Amino-2-fluoro-4-nitrobenzotrifluoride is 224.02 g/mol.
Where can I buy 5-Amino-2-fluoro-4-nitrobenzotrifluoride?
You can request a quote for 5-Amino-2-fluoro-4-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-fluoro-4-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-fluoro-4-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.