4-Dimethylaminoheptafluorotoluene
TL;DR: 4-Dimethylaminoheptafluorotoluene (CAS 28012-10-4) is a chemical compound with molecular formula C9H6F7N and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-N,N-dimethyl-4-(trifluoromethyl)aniline
Also Known As: 4-Dimethylaminoheptafluorotoluene, 4-Dimethylaminoperfluorotoluene, 2,3,5,6-tetrafluoro-N,N-dimethyl-4-(trifluoromethyl)aniline, Benzenamine,2,3,5,6-tetrafluoro-N,N-dimethyl-4-(trifluoromethyl)-, dimethyl[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]amine
| Molecular Formula | C9H6F7N |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 3.3278 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.03885 |
| Heavy Atoms | 17 |
| Complexity | 420.6332 |
Chemical Identifiers
| CAS Number | 28012-10-4 |
|---|---|
| SMILES | CN(C)C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F |
Product Overview
4-Dimethylaminoheptafluorotoluene (CAS 28012-10-4), with molecular formula C9H6F7N and molecular weight 261.04 g/mol. IUPAC: 2,3,5,6-tetrafluoro-N,N-dimethyl-4-(trifluoromethyl)aniline.
Chemical Property Profile of 4-Dimethylaminoheptafluorotoluene
Property Insights of 4-Dimethylaminoheptafluorotoluene
The XLogP value of 3.3278 indicates that 4-Dimethylaminoheptafluorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 4-Dimethylaminoheptafluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dimethylaminoheptafluorotoluene has 0 hydrogen bond donor(s) and 1 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 4-Dimethylaminoheptafluorotoluene?
The CAS number of 4-Dimethylaminoheptafluorotoluene is 28012-10-4.
What is the molecular formula of 4-Dimethylaminoheptafluorotoluene?
The molecular formula of 4-Dimethylaminoheptafluorotoluene is C9H6F7N.
What is the molecular weight of 4-Dimethylaminoheptafluorotoluene?
The molecular weight of 4-Dimethylaminoheptafluorotoluene is 261.04 g/mol.
Where can I buy 4-Dimethylaminoheptafluorotoluene?
You can request a quote for 4-Dimethylaminoheptafluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dimethylaminoheptafluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 4-Dimethylaminoheptafluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.