2,2,2-Trifluoroethyl 2-chloroacrylate
TL;DR: 2,2,2-Trifluoroethyl 2-chloroacrylate (CAS 74359-03-8) is a chemical compound with molecular formula C5H4ClF3O2 and molecular weight 187.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2-chloroprop-2-enoate
Also Known As: 2,2,2-Trifluoroethyl 2-chloroacrylate, EINECS 277-840-1, 2,2,2-trifluoroethyl 2-chloroprop-2-enoate, trifluoroethyl alpha-chloroacrylate, (C5-H4-Cl-F3-O2)x-
| Molecular Formula | C5H4ClF3O2 |
|---|---|
| Molecular Weight | 187.99 g/mol |
| LogP | 1.8444 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.9852 |
| Heavy Atoms | 11 |
| Complexity | 175.05656 |
Chemical Identifiers
| CAS Number | 74359-03-8 |
|---|---|
| SMILES | C=C(C(=O)OCC(F)(F)F)Cl |
Product Overview
2,2,2-Trifluoroethyl 2-chloroacrylate (CAS 74359-03-8), with molecular formula C5H4ClF3O2 and molecular weight 187.99 g/mol. IUPAC: 2,2,2-trifluoroethyl 2-chloroprop-2-enoate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 2-chloroacrylate
Property Insights of 2,2,2-Trifluoroethyl 2-chloroacrylate
The XLogP value of 1.8444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl 2-chloroacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trifluoroethyl 2-chloroacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 2-chloroacrylate 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 2,2,2-Trifluoroethyl 2-chloroacrylate?
The CAS number of 2,2,2-Trifluoroethyl 2-chloroacrylate is 74359-03-8.
What is the molecular formula of 2,2,2-Trifluoroethyl 2-chloroacrylate?
The molecular formula of 2,2,2-Trifluoroethyl 2-chloroacrylate is C5H4ClF3O2.
What is the molecular weight of 2,2,2-Trifluoroethyl 2-chloroacrylate?
The molecular weight of 2,2,2-Trifluoroethyl 2-chloroacrylate is 187.99 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 2-chloroacrylate?
You can request a quote for 2,2,2-Trifluoroethyl 2-chloroacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 2-chloroacrylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 2-chloroacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.