1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene
TL;DR: 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene (CAS 91091-63-3) is a chemical compound with molecular formula C9H8ClF3 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-chloro-2,2,2-trifluoroethyl)-4-methylbenzene
Also Known As: 1-(1-chloro-2,2,2-trifluoroethyl)-4-methylbenzene, Benzene,1-(1-chloro-2,2,2-trifluoroethyl)-4-methyl-, RefChem:222429
| Molecular Formula | C9H8ClF3 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.02666 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 91091-63-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(F)(F)F)Cl |
| InChIKey | SOBQAWIVIICAHC-UHFFFAOYSA-N |
Product Overview
1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene (CAS 91091-63-3), with molecular formula C9H8ClF3 and molecular weight 208.03 g/mol. IUPAC: 1-(1-chloro-2,2,2-trifluoroethyl)-4-methylbenzene.
Chemical Property Profile of 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene
Property Insights of 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene
The XLogP value of 3.8 indicates that 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene 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-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene has 0 hydrogen bond donor(s) and 3 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-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene?
The CAS number of 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene is 91091-63-3.
What is the molecular formula of 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene?
The molecular formula of 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene is C9H8ClF3.
What is the molecular weight of 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene?
The molecular weight of 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene is 208.03 g/mol.
Where can I buy 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene?
You can request a quote for 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Chloro-2,2,2-trifluoroethyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.