3,5-Ditrifluoromethylbenzyl
TL;DR: 3,5-Ditrifluoromethylbenzyl (CAS 75462-61-2) is a chemical compound with molecular formula C9H6F6 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,5-bis(trifluoromethyl)benzene
Also Known As: 3,5-bis(trifluoromethyl)toluene, Dtfmbzbr, 1-methyl-3,5-bis(trifluoromethyl)benzene, 3,5-Ditrifluoromethylbenzyl, 3,5-Bis(trifluoromethyl)-toluene
| Molecular Formula | C9H6F6 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.03737 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 75462-61-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| InChIKey | WGUXTQDCAZNJIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Ditrifluoromethylbenzyl (CAS 75462-61-2), with molecular formula C9H6F6 and molecular weight 228.04 g/mol. IUPAC: 1-methyl-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 3,5-Ditrifluoromethylbenzyl
Property Insights of 3,5-Ditrifluoromethylbenzyl
The XLogP value of 4.1 indicates that 3,5-Ditrifluoromethylbenzyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Ditrifluoromethylbenzyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Ditrifluoromethylbenzyl has 0 hydrogen bond donor(s) and 6 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-Ditrifluoromethylbenzyl?
The CAS number of 3,5-Ditrifluoromethylbenzyl is 75462-61-2.
What is the molecular formula of 3,5-Ditrifluoromethylbenzyl?
The molecular formula of 3,5-Ditrifluoromethylbenzyl is C9H6F6.
What is the molecular weight of 3,5-Ditrifluoromethylbenzyl?
The molecular weight of 3,5-Ditrifluoromethylbenzyl is 228.04 g/mol.
Where can I buy 3,5-Ditrifluoromethylbenzyl?
You can request a quote for 3,5-Ditrifluoromethylbenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Ditrifluoromethylbenzyl?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Ditrifluoromethylbenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.