3-(Difluoromethoxy)aniline
TL;DR: 3-(Difluoromethoxy)aniline (CAS 22236-08-4) is a chemical compound with molecular formula C7H7F2NO and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(difluoromethoxy)aniline
Also Known As: 3-(Difluoromethoxy)aniline, m-difluoromethoxyaniline, a,a-Difluoro-m-anisidine, 3-difluoromethoxy aniline, 3-difluoromethoxyphenylamine
| Molecular Formula | C7H7F2NO |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | 1.8702 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.04958 |
| Heavy Atoms | 11 |
| Complexity | 239.63712 |
Chemical Identifiers
| CAS Number | 22236-08-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)F)N |
Product Overview
3-(Difluoromethoxy)aniline (CAS 22236-08-4), with molecular formula C7H7F2NO and molecular weight 159.05 g/mol. IUPAC: 3-(difluoromethoxy)aniline.
Chemical Property Profile of 3-(Difluoromethoxy)aniline
Property Insights of 3-(Difluoromethoxy)aniline
The XLogP value of 1.8702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Difluoromethoxy)aniline. With a topological polar surface area (TPSA) of 35.25 Ų, 3-(Difluoromethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Difluoromethoxy)aniline has 1 hydrogen bond donor(s) and 2 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-(Difluoromethoxy)aniline?
The CAS number of 3-(Difluoromethoxy)aniline is 22236-08-4.
What is the molecular formula of 3-(Difluoromethoxy)aniline?
The molecular formula of 3-(Difluoromethoxy)aniline is C7H7F2NO.
What is the molecular weight of 3-(Difluoromethoxy)aniline?
The molecular weight of 3-(Difluoromethoxy)aniline is 159.05 g/mol.
Where can I buy 3-(Difluoromethoxy)aniline?
You can request a quote for 3-(Difluoromethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Difluoromethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Difluoromethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.