Vinyl 3,3-dichloro-2,2,3-trifluoropropionate
TL;DR: Vinyl 3,3-dichloro-2,2,3-trifluoropropionate (CAS 78840-97-8) is a chemical compound with molecular formula C5H3Cl2F3O2 and molecular weight 221.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 3,3-dichloro-2,2,3-trifluoropropanoate
Also Known As: EINECS 278-993-7, ethenyl 3,3-dichloro-2,2,3-trifluoropropanoate, Vinyl 3,3-dichloro-2,2,3-trifluoropropionate, vinyl3,3-dichloro-2,2,3-trifluoropropionate, 3,3-Dichloro-2,2,3-trifluoropropanoic acid ethenyl ester
| Molecular Formula | C5H3Cl2F3O2 |
|---|---|
| Molecular Weight | 221.95 g/mol |
| LogP | 2.4093 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.94621 |
| Heavy Atoms | 12 |
| Complexity | 199.36024 |
Chemical Identifiers
| CAS Number | 78840-97-8 |
|---|---|
| SMILES | C=COC(=O)C(C(F)(Cl)Cl)(F)F |
Product Overview
Vinyl 3,3-dichloro-2,2,3-trifluoropropionate (CAS 78840-97-8), with molecular formula C5H3Cl2F3O2 and molecular weight 221.95 g/mol. IUPAC: ethenyl 3,3-dichloro-2,2,3-trifluoropropanoate.
Chemical Property Profile of Vinyl 3,3-dichloro-2,2,3-trifluoropropionate
Property Insights of Vinyl 3,3-dichloro-2,2,3-trifluoropropionate
The XLogP value of 2.4093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl 3,3-dichloro-2,2,3-trifluoropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl 3,3-dichloro-2,2,3-trifluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 3,3-dichloro-2,2,3-trifluoropropionate 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 Vinyl 3,3-dichloro-2,2,3-trifluoropropionate?
The CAS number of Vinyl 3,3-dichloro-2,2,3-trifluoropropionate is 78840-97-8.
What is the molecular formula of Vinyl 3,3-dichloro-2,2,3-trifluoropropionate?
The molecular formula of Vinyl 3,3-dichloro-2,2,3-trifluoropropionate is C5H3Cl2F3O2.
What is the molecular weight of Vinyl 3,3-dichloro-2,2,3-trifluoropropionate?
The molecular weight of Vinyl 3,3-dichloro-2,2,3-trifluoropropionate is 221.95 g/mol.
Where can I buy Vinyl 3,3-dichloro-2,2,3-trifluoropropionate?
You can request a quote for Vinyl 3,3-dichloro-2,2,3-trifluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl 3,3-dichloro-2,2,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl 3,3-dichloro-2,2,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.