4-(Trifluoromethoxy)phenoxyacetyl chloride
TL;DR: 4-(Trifluoromethoxy)phenoxyacetyl chloride (CAS 72220-51-0) is a chemical compound with molecular formula C9H6ClF3O3 and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(trifluoromethoxy)phenoxy]acetyl chloride
Also Known As: 4-(Trifluoromethoxy)phenoxyacetyl chloride, 2-[4-(trifluoromethoxy)phenoxy]acetyl chloride, Acetyl chloride, [4-(trifluoromethoxy)phenoxy]-, 4-(Trifluoromethoxy)phenoxyacetylchloride, [4-(Trifluoromethoxy)phenoxy]acetyl chloride
| Molecular Formula | C9H6ClF3O3 |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 2.7294 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.99576 |
| Heavy Atoms | 16 |
| Complexity | 361.2571 |
Chemical Identifiers
| CAS Number | 72220-51-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)Cl)OC(F)(F)F |
Product Overview
4-(Trifluoromethoxy)phenoxyacetyl chloride (CAS 72220-51-0), with molecular formula C9H6ClF3O3 and molecular weight 254.00 g/mol. IUPAC: 2-[4-(trifluoromethoxy)phenoxy]acetyl chloride.
Chemical Property Profile of 4-(Trifluoromethoxy)phenoxyacetyl chloride
Property Insights of 4-(Trifluoromethoxy)phenoxyacetyl chloride
The XLogP value of 2.7294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethoxy)phenoxyacetyl chloride. With a topological polar surface area (TPSA) of 35.53 Ų, 4-(Trifluoromethoxy)phenoxyacetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethoxy)phenoxyacetyl chloride 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 4-(Trifluoromethoxy)phenoxyacetyl chloride?
The CAS number of 4-(Trifluoromethoxy)phenoxyacetyl chloride is 72220-51-0.
What is the molecular formula of 4-(Trifluoromethoxy)phenoxyacetyl chloride?
The molecular formula of 4-(Trifluoromethoxy)phenoxyacetyl chloride is C9H6ClF3O3.
What is the molecular weight of 4-(Trifluoromethoxy)phenoxyacetyl chloride?
The molecular weight of 4-(Trifluoromethoxy)phenoxyacetyl chloride is 254.00 g/mol.
Where can I buy 4-(Trifluoromethoxy)phenoxyacetyl chloride?
You can request a quote for 4-(Trifluoromethoxy)phenoxyacetyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethoxy)phenoxyacetyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethoxy)phenoxyacetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.