2-methoxy-N-(2,2,2-trifluoroethyl)aniline
TL;DR: 2-methoxy-N-(2,2,2-trifluoroethyl)aniline (CAS 398-44-7) is a chemical compound with molecular formula C9H10F3NO and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-N-(2,2,2-trifluoroethyl)aniline
Also Known As: 2-methoxy-N-(2,2,2-trifluoroethyl)aniline, N-(2-methoxyphenyl)-N-(2,2,2-trifluoroethyl)amine, N-(2,2,2-Trifluoroethyl)-2-methoxyaniline, J2.446.786D, (2-methoxyphenyl)(2,2,2-trifluoroethyl)amine
| Molecular Formula | C9H10F3NO |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.6694 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.07144 |
| Heavy Atoms | 14 |
| Complexity | 298.3537 |
Chemical Identifiers
| CAS Number | 398-44-7 |
|---|---|
| SMILES | COC1=CC=CC=C1NCC(F)(F)F |
Product Overview
2-methoxy-N-(2,2,2-trifluoroethyl)aniline (CAS 398-44-7), with molecular formula C9H10F3NO and molecular weight 205.07 g/mol. IUPAC: 2-methoxy-N-(2,2,2-trifluoroethyl)aniline.
Chemical Property Profile of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline
Property Insights of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline
The XLogP value of 2.6694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxy-N-(2,2,2-trifluoroethyl)aniline. With a topological polar surface area (TPSA) of 21.26 Ų, 2-methoxy-N-(2,2,2-trifluoroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methoxy-N-(2,2,2-trifluoroethyl)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 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The CAS number of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline is 398-44-7.
What is the molecular formula of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The molecular formula of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline is C9H10F3NO.
What is the molecular weight of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The molecular weight of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline is 205.07 g/mol.
Where can I buy 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
You can request a quote for 2-methoxy-N-(2,2,2-trifluoroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxy-N-(2,2,2-trifluoroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.