3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
TL;DR: 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline (CAS 108997-68-8) is a chemical compound with molecular formula C9H5Cl2F6NO and molecular weight 326.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
Also Known As: 3,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline, Benzenamine, 3,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-, 3,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropyloxy)aniline, Benzenamine,3,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy), Benzenamine, 3,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)
| Molecular Formula | C9H5Cl2F6NO |
|---|---|
| Molecular Weight | 326.97 g/mol |
| LogP | 4.4476 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.96524 |
| Heavy Atoms | 19 |
| Complexity | 455.26303 |
Chemical Identifiers
| CAS Number | 108997-68-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)N |
Product Overview
3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline (CAS 108997-68-8), with molecular formula C9H5Cl2F6NO and molecular weight 326.97 g/mol. IUPAC: 3,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline.
Chemical Property Profile of 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
Property Insights of 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
The XLogP value of 4.4476 indicates that 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)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 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The CAS number of 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline is 108997-68-8.
What is the molecular formula of 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The molecular formula of 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline is C9H5Cl2F6NO.
What is the molecular weight of 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The molecular weight of 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline is 326.97 g/mol.
Where can I buy 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
You can request a quote for 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.