3-Fluoro-n,n-bis(2-fluoroethyl)aniline
TL;DR: 3-Fluoro-n,n-bis(2-fluoroethyl)aniline (CAS 13452-68-1) is a chemical compound with molecular formula C10H12F3N and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N,N-bis(2-fluoroethyl)aniline
Also Known As: 3-fluoro-n,n-bis(2-fluoroethyl)aniline, 2-(2,6-dimethylphenoxy)acetic acid, Benzenamine, 3-fluoro-N,N-bis(2-fluoroethyl)-
| Molecular Formula | C10H12F3N |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.09218 |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 13452-68-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)N(CCF)CCF |
| InChIKey | CFLBAFLPWJPWPQ-UHFFFAOYSA-N |
Product Overview
3-Fluoro-n,n-bis(2-fluoroethyl)aniline (CAS 13452-68-1), with molecular formula C10H12F3N and molecular weight 203.09 g/mol. IUPAC: 3-fluoro-N,N-bis(2-fluoroethyl)aniline.
Chemical Property Profile of 3-Fluoro-n,n-bis(2-fluoroethyl)aniline
Property Insights of 3-Fluoro-n,n-bis(2-fluoroethyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-n,n-bis(2-fluoroethyl)aniline. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Fluoro-n,n-bis(2-fluoroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-n,n-bis(2-fluoroethyl)aniline has 0 hydrogen bond donor(s) and 4 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-Fluoro-n,n-bis(2-fluoroethyl)aniline?
The CAS number of 3-Fluoro-n,n-bis(2-fluoroethyl)aniline is 13452-68-1.
What is the molecular formula of 3-Fluoro-n,n-bis(2-fluoroethyl)aniline?
The molecular formula of 3-Fluoro-n,n-bis(2-fluoroethyl)aniline is C10H12F3N.
What is the molecular weight of 3-Fluoro-n,n-bis(2-fluoroethyl)aniline?
The molecular weight of 3-Fluoro-n,n-bis(2-fluoroethyl)aniline is 203.09 g/mol.
Where can I buy 3-Fluoro-n,n-bis(2-fluoroethyl)aniline?
You can request a quote for 3-Fluoro-n,n-bis(2-fluoroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-n,n-bis(2-fluoroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-n,n-bis(2-fluoroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.