1-(tert-Butoxy)-2,3-difluorobenzene
TL;DR: 1-(tert-Butoxy)-2,3-difluorobenzene (CAS 959574-01-7) is a chemical compound with molecular formula C10H12F2O and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-difluoro-3-[(2-methylpropan-2-yl)oxy]benzene
Also Known As: 1-(tert-Butoxy)-2,3-difluorobenzene, 1,2-difluoro-3-[(2-methylpropan-2-yl)oxy]benzene
| Molecular Formula | C10H12F2O |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 3.1421 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.08562 |
| Heavy Atoms | 13 |
| Complexity | 302.28333 |
Chemical Identifiers
| CAS Number | 959574-01-7 |
|---|---|
| SMILES | CC(C)(C)OC1=C(C(=CC=C1)F)F |
Product Overview
1-(tert-Butoxy)-2,3-difluorobenzene (CAS 959574-01-7), with molecular formula C10H12F2O and molecular weight 186.09 g/mol. IUPAC: 1,2-difluoro-3-[(2-methylpropan-2-yl)oxy]benzene.
Chemical Property Profile of 1-(tert-Butoxy)-2,3-difluorobenzene
Property Insights of 1-(tert-Butoxy)-2,3-difluorobenzene
The XLogP value of 3.1421 indicates that 1-(tert-Butoxy)-2,3-difluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-(tert-Butoxy)-2,3-difluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-Butoxy)-2,3-difluorobenzene 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 1-(tert-Butoxy)-2,3-difluorobenzene?
The CAS number of 1-(tert-Butoxy)-2,3-difluorobenzene is 959574-01-7.
What is the molecular formula of 1-(tert-Butoxy)-2,3-difluorobenzene?
The molecular formula of 1-(tert-Butoxy)-2,3-difluorobenzene is C10H12F2O.
What is the molecular weight of 1-(tert-Butoxy)-2,3-difluorobenzene?
The molecular weight of 1-(tert-Butoxy)-2,3-difluorobenzene is 186.09 g/mol.
Where can I buy 1-(tert-Butoxy)-2,3-difluorobenzene?
You can request a quote for 1-(tert-Butoxy)-2,3-difluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-Butoxy)-2,3-difluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-Butoxy)-2,3-difluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.