2-Difluoromethoxytoluene
TL;DR: 2-Difluoromethoxytoluene (CAS 42173-52-4) is a chemical compound with molecular formula C8H8F2O and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethoxy)-2-methylbenzene
Also Known As: 2-Difluoromethoxytoluene, 2-(Difluoromethoxy)toluene, 1-(difluoromethoxy)-2-methylbenzene, o-(Difluoromethoxy)toluene, difluoro(2-methylphenoxy)methane
| Molecular Formula | C8H8F2O |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 2.59642 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.05432 |
| Heavy Atoms | 11 |
| Complexity | 235.28859 |
Chemical Identifiers
| CAS Number | 42173-52-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(F)F |
Product Overview
2-Difluoromethoxytoluene (CAS 42173-52-4), with molecular formula C8H8F2O and molecular weight 158.05 g/mol. IUPAC: 1-(difluoromethoxy)-2-methylbenzene.
Chemical Property Profile of 2-Difluoromethoxytoluene
Property Insights of 2-Difluoromethoxytoluene
The XLogP value of 2.59642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Difluoromethoxytoluene. With a topological polar surface area (TPSA) of 9.23 Ų, 2-Difluoromethoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Difluoromethoxytoluene has 0 hydrogen bond donor(s) and 1 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 2-Difluoromethoxytoluene?
The CAS number of 2-Difluoromethoxytoluene is 42173-52-4.
What is the molecular formula of 2-Difluoromethoxytoluene?
The molecular formula of 2-Difluoromethoxytoluene is C8H8F2O.
What is the molecular weight of 2-Difluoromethoxytoluene?
The molecular weight of 2-Difluoromethoxytoluene is 158.05 g/mol.
Where can I buy 2-Difluoromethoxytoluene?
You can request a quote for 2-Difluoromethoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Difluoromethoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Difluoromethoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.