2-Chloro-1-(difluoromethyl)-4-fluorobenzene
TL;DR: 2-Chloro-1-(difluoromethyl)-4-fluorobenzene (CAS 845866-83-3) is a chemical compound with molecular formula C7H4ClF3 and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(difluoromethyl)-4-fluorobenzene
Also Known As: 2-chloro-1-(difluoromethyl)-4-fluorobenzene, 2-Butylcyclohexanol, 2-Chloro-1-difluoromethyl-4-fluorobenzene, 0484AF, 2-chloro-1-(difluoromethyl)-4-fluoro-benzene
| Molecular Formula | C7H4ClF3 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 3.4167 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.99536 |
| Heavy Atoms | 11 |
| Complexity | 259.86264 |
Chemical Identifiers
| CAS Number | 845866-83-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Cl)C(F)F |
Product Overview
2-Chloro-1-(difluoromethyl)-4-fluorobenzene (CAS 845866-83-3), with molecular formula C7H4ClF3 and molecular weight 180.00 g/mol. IUPAC: 2-chloro-1-(difluoromethyl)-4-fluorobenzene.
Chemical Property Profile of 2-Chloro-1-(difluoromethyl)-4-fluorobenzene
Property Insights of 2-Chloro-1-(difluoromethyl)-4-fluorobenzene
The XLogP value of 3.4167 indicates that 2-Chloro-1-(difluoromethyl)-4-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-1-(difluoromethyl)-4-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(difluoromethyl)-4-fluorobenzene has 0 hydrogen bond donor(s) and 0 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-Chloro-1-(difluoromethyl)-4-fluorobenzene?
The CAS number of 2-Chloro-1-(difluoromethyl)-4-fluorobenzene is 845866-83-3.
What is the molecular formula of 2-Chloro-1-(difluoromethyl)-4-fluorobenzene?
The molecular formula of 2-Chloro-1-(difluoromethyl)-4-fluorobenzene is C7H4ClF3.
What is the molecular weight of 2-Chloro-1-(difluoromethyl)-4-fluorobenzene?
The molecular weight of 2-Chloro-1-(difluoromethyl)-4-fluorobenzene is 180.00 g/mol.
Where can I buy 2-Chloro-1-(difluoromethyl)-4-fluorobenzene?
You can request a quote for 2-Chloro-1-(difluoromethyl)-4-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(difluoromethyl)-4-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(difluoromethyl)-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.