![2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile structure](/static/products/852/852851-91-3.png)
2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile
TL;DR: 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile (CAS 852851-91-3) is a chemical compound with molecular formula C10H9F2NO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
Also Known As: 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile, [4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile, 2-4-(difluoromethoxy)-3-methoxyphenylacetonitrile, 2-(4-(difluoromethoxy)-3-methoxyphenyl)acetonitrile, 968-581-1
| Molecular Formula | C10H9F2NO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.36268 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.06013 |
| Heavy Atoms | 15 |
| Complexity | 374.1754 |
Chemical Identifiers
| CAS Number | 852851-91-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC#N)OC(F)F |
Product Overview
2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile (CAS 852851-91-3), with molecular formula C10H9F2NO2 and molecular weight 213.06 g/mol. IUPAC: 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile.
Chemical Property Profile of 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile
Property Insights of 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile
The XLogP value of 2.36268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile 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 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile?
The CAS number of 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile is 852851-91-3.
What is the molecular formula of 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile?
The molecular formula of 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile is C10H9F2NO2.
What is the molecular weight of 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile?
The molecular weight of 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile is 213.06 g/mol.
Where can I buy 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile?
You can request a quote for 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Difluoromethoxy)-3-methoxyphenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.