4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide
TL;DR: 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide (CAS 462066-93-9) is a chemical compound with molecular formula C8H2BrF7 and molecular weight 309.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
Also Known As: TTBB, DDTA, 1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide, 4-(bromomethyl)-2,3,5,6-tetrafluoro-benzotrifluoride
| Molecular Formula | C8H2BrF7 |
|---|---|
| Molecular Weight | 309.92 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.92282 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 462066-93-9 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)Br |
| InChIKey | WKPYRDRWTNJBQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide (CAS 462066-93-9), with molecular formula C8H2BrF7 and molecular weight 309.92 g/mol. IUPAC: 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide
Property Insights of 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide
The XLogP value of 3.8 indicates that 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide has 0 hydrogen bond donor(s) and 7 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-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide?
The CAS number of 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide is 462066-93-9.
What is the molecular formula of 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide?
The molecular formula of 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide is C8H2BrF7.
What is the molecular weight of 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide?
The molecular weight of 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide is 309.92 g/mol.
Where can I buy 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide?
You can request a quote for 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.