1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene
TL;DR: 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene (CAS 94651-33-9) is a chemical compound with molecular formula C8H4ClF5 and molecular weight 229.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[chloro(difluoro)methyl]-4-(trifluoromethyl)benzene
Also Known As: 4-(Chlorodifluoromethyl)benzotrifluoride, 1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene, 2-(Trifluoromethoxy)benzaldehyde, 1-[Chloro(difluoro)methyl]-4-(trifluoromethyl)benzene, 4-[Chloro(difluoro)methyl]benzotrifluoride
| Molecular Formula | C8H4ClF5 |
|---|---|
| Molecular Weight | 229.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.99217 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 94651-33-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)C(F)(F)Cl |
| InChIKey | YDRVRFILFNVROV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene (CAS 94651-33-9), with molecular formula C8H4ClF5 and molecular weight 229.99 g/mol. IUPAC: 1-[chloro(difluoro)methyl]-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene
Property Insights of 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene
The XLogP value of 4.1 indicates that 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 5 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 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene?
The CAS number of 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene is 94651-33-9.
What is the molecular formula of 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene?
The molecular formula of 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene is C8H4ClF5.
What is the molecular weight of 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene?
The molecular weight of 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene is 229.99 g/mol.
Where can I buy 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene?
You can request a quote for 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chlorodifluoromethyl)-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.