4-(1,1,2,2-Tetrafluoroethoxy)toluene
TL;DR: 4-(1,1,2,2-Tetrafluoroethoxy)toluene (CAS 1737-11-7) is a chemical compound with molecular formula C9H8F4O and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
Also Known As: 4-(1,1,2,2-Tetrafluoroethoxy)toluene, 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene, 4-tetrafluoroethoxytoluene, (r)-beta-4-chlorophenylalanine, 3-Amino-4-bromobenzotrifluoride
| Molecular Formula | C9H8F4O |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.05113 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1737-11-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(C(F)F)(F)F |
| InChIKey | VACIXOPZIXUAKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,1,2,2-Tetrafluoroethoxy)toluene (CAS 1737-11-7), with molecular formula C9H8F4O and molecular weight 208.05 g/mol. IUPAC: 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene.
Chemical Property Profile of 4-(1,1,2,2-Tetrafluoroethoxy)toluene
Property Insights of 4-(1,1,2,2-Tetrafluoroethoxy)toluene
The XLogP value of 3.9 indicates that 4-(1,1,2,2-Tetrafluoroethoxy)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-(1,1,2,2-Tetrafluoroethoxy)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1,2,2-Tetrafluoroethoxy)toluene 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 4-(1,1,2,2-Tetrafluoroethoxy)toluene?
The CAS number of 4-(1,1,2,2-Tetrafluoroethoxy)toluene is 1737-11-7.
What is the molecular formula of 4-(1,1,2,2-Tetrafluoroethoxy)toluene?
The molecular formula of 4-(1,1,2,2-Tetrafluoroethoxy)toluene is C9H8F4O.
What is the molecular weight of 4-(1,1,2,2-Tetrafluoroethoxy)toluene?
The molecular weight of 4-(1,1,2,2-Tetrafluoroethoxy)toluene is 208.05 g/mol.
Where can I buy 4-(1,1,2,2-Tetrafluoroethoxy)toluene?
You can request a quote for 4-(1,1,2,2-Tetrafluoroethoxy)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1,2,2-Tetrafluoroethoxy)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1,2,2-Tetrafluoroethoxy)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.