4-Amino-2,5-difluorobenzotrifluoride
TL;DR: 4-Amino-2,5-difluorobenzotrifluoride (CAS 114973-22-7) is a chemical compound with molecular formula C7H4F5N and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-difluoro-4-(trifluoromethyl)aniline
Also Known As: 4-Amino-2,5-difluorobenzotrifluoride, 2,5-difluoro-4-(trifluoromethyl)aniline, Ethyl 4-acetylbenzoate, Benzenamine, 2,5-difluoro-4-(trifluoromethyl)-, 2,5-difluoro-4-trifluoromethylaniline
| Molecular Formula | C7H4F5N |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.5658 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.02638 |
| Heavy Atoms | 13 |
| Complexity | 330.39017 |
Chemical Identifiers
| CAS Number | 114973-22-7 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)N)F)C(F)(F)F |
Product Overview
4-Amino-2,5-difluorobenzotrifluoride (CAS 114973-22-7), with molecular formula C7H4F5N and molecular weight 197.03 g/mol. IUPAC: 2,5-difluoro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 4-Amino-2,5-difluorobenzotrifluoride
Property Insights of 4-Amino-2,5-difluorobenzotrifluoride
The XLogP value of 2.5658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,5-difluorobenzotrifluoride. With a topological polar surface area (TPSA) of 26.02 Ų, 4-Amino-2,5-difluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2,5-difluorobenzotrifluoride 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-2,5-difluorobenzotrifluoride?
The CAS number of 4-Amino-2,5-difluorobenzotrifluoride is 114973-22-7.
What is the molecular formula of 4-Amino-2,5-difluorobenzotrifluoride?
The molecular formula of 4-Amino-2,5-difluorobenzotrifluoride is C7H4F5N.
What is the molecular weight of 4-Amino-2,5-difluorobenzotrifluoride?
The molecular weight of 4-Amino-2,5-difluorobenzotrifluoride is 197.03 g/mol.
Where can I buy 4-Amino-2,5-difluorobenzotrifluoride?
You can request a quote for 4-Amino-2,5-difluorobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2,5-difluorobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2,5-difluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.