3-Nitro-5-(trifluoromethyl)aniline
TL;DR: 3-Nitro-5-(trifluoromethyl)aniline (CAS 401-94-5) is a chemical compound with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5-(trifluoromethyl)aniline
Also Known As: 3-nitro-5-(trifluoromethyl)aniline, 3-Amino-5-nitrobenzotrifluoride, 3-nitro-5-(trifluoromethyl)benzenamine, 3-nitro-5-trifluoromethyl-phenylamine, 3-amino-5-(trifluoromethyl)nitrobenzene
| Molecular Formula | C7H5F3N2O2 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 2.1958 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03032 |
| Heavy Atoms | 14 |
| Complexity | 375.68793 |
Chemical Identifiers
| CAS Number | 401-94-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1N)[N+](=O)[O-])C(F)(F)F |
Product Overview
3-Nitro-5-(trifluoromethyl)aniline (CAS 401-94-5), with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol. IUPAC: 3-nitro-5-(trifluoromethyl)aniline.
Chemical Property Profile of 3-Nitro-5-(trifluoromethyl)aniline
Property Insights of 3-Nitro-5-(trifluoromethyl)aniline
The XLogP value of 2.1958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-5-(trifluoromethyl)aniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-5-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 3-Nitro-5-(trifluoromethyl)aniline 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 3-Nitro-5-(trifluoromethyl)aniline?
The CAS number of 3-Nitro-5-(trifluoromethyl)aniline is 401-94-5.
What is the molecular formula of 3-Nitro-5-(trifluoromethyl)aniline?
The molecular formula of 3-Nitro-5-(trifluoromethyl)aniline is C7H5F3N2O2.
What is the molecular weight of 3-Nitro-5-(trifluoromethyl)aniline?
The molecular weight of 3-Nitro-5-(trifluoromethyl)aniline is 206.03 g/mol.
Where can I buy 3-Nitro-5-(trifluoromethyl)aniline?
You can request a quote for 3-Nitro-5-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-5-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-5-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.