1-(2-Chloroethyl)-2,6-difluorobenzene
TL;DR: 1-(2-Chloroethyl)-2,6-difluorobenzene (CAS 959232-39-4) is a chemical compound with molecular formula C8H7ClF2 and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethyl)-1,3-difluorobenzene
Also Known As: 1-(2-Chloroethyl)-2,6-difluorobenzene, 2-(2-Chloroethyl)-1,3-difluorobenzene, 2-(2-chloroethyl)-1,3-difluoro-benzene, 2-(2-Chloroethyl)-1,3-difluorobenzene #, Benzene, 2-(2-chloroethyl)-1,3-difluoro-
| Molecular Formula | C8H7ClF2 |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.02043 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 959232-39-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)CCCl)F |
| InChIKey | HTVLRLFZFIKIPU-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-2,6-difluorobenzene (CAS 959232-39-4), with molecular formula C8H7ClF2 and molecular weight 176.02 g/mol. IUPAC: 2-(2-chloroethyl)-1,3-difluorobenzene.
Chemical Property Profile of 1-(2-Chloroethyl)-2,6-difluorobenzene
Property Insights of 1-(2-Chloroethyl)-2,6-difluorobenzene
The XLogP value of 3.0 indicates that 1-(2-Chloroethyl)-2,6-difluorobenzene 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-(2-Chloroethyl)-2,6-difluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-2,6-difluorobenzene has 0 hydrogen bond donor(s) and 2 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-(2-Chloroethyl)-2,6-difluorobenzene?
The CAS number of 1-(2-Chloroethyl)-2,6-difluorobenzene is 959232-39-4.
What is the molecular formula of 1-(2-Chloroethyl)-2,6-difluorobenzene?
The molecular formula of 1-(2-Chloroethyl)-2,6-difluorobenzene is C8H7ClF2.
What is the molecular weight of 1-(2-Chloroethyl)-2,6-difluorobenzene?
The molecular weight of 1-(2-Chloroethyl)-2,6-difluorobenzene is 176.02 g/mol.
Where can I buy 1-(2-Chloroethyl)-2,6-difluorobenzene?
You can request a quote for 1-(2-Chloroethyl)-2,6-difluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-2,6-difluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-2,6-difluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.