3-(Trifluoromethoxy)aniline
TL;DR: 3-(Trifluoromethoxy)aniline (CAS 1535-73-5) is a chemical compound with molecular formula C7H6F3NO and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethoxy)aniline
Also Known As: 3-(Trifluoromethoxy)aniline, 3-trifluoromethoxyaniline, null, zr coxfff, m-(trifluoromethoxy)aniline
| Molecular Formula | C7H6F3NO |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04015 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 1535-73-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)N |
| InChIKey | SADHVOSOZBAAGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethoxy)aniline (CAS 1535-73-5), with molecular formula C7H6F3NO and molecular weight 177.04 g/mol. IUPAC: 3-(trifluoromethoxy)aniline.
Chemical Property Profile of 3-(Trifluoromethoxy)aniline
Property Insights of 3-(Trifluoromethoxy)aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethoxy)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(Trifluoromethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethoxy)aniline 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
Frequently Asked Questions
What is the CAS number of 3-(Trifluoromethoxy)aniline?
The CAS number of 3-(Trifluoromethoxy)aniline is 1535-73-5.
What is the molecular formula of 3-(Trifluoromethoxy)aniline?
The molecular formula of 3-(Trifluoromethoxy)aniline is C7H6F3NO.
What is the molecular weight of 3-(Trifluoromethoxy)aniline?
The molecular weight of 3-(Trifluoromethoxy)aniline is 177.04 g/mol.
Where can I buy 3-(Trifluoromethoxy)aniline?
You can request a quote for 3-(Trifluoromethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.