Methyl 3,3-dichloro-2,2,3-trifluoropropanoate
TL;DR: Methyl 3,3-dichloro-2,2,3-trifluoropropanoate (CAS 13291-19-5) is a chemical compound with molecular formula C4H3Cl2F3O2 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3-dichloro-2,2,3-trifluoropropanoate
Also Known As: methyl 3,3-dichloro-2,2,3-trifluoropropanoate, Methyl dichloro-2,2-3-trifluoropropionate, Methyl 3,3-dichloro-2,2,3-trifluoro-propanoate, Propanoic acid, 3,3-dichloro-2,2,3-trifluoro-, methyl ester, RefChem:354500
| Molecular Formula | C4H3Cl2F3O2 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | 1.8956 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.94621 |
| Heavy Atoms | 11 |
| Complexity | 165.21033 |
Chemical Identifiers
| CAS Number | 13291-19-5 |
|---|---|
| SMILES | COC(=O)C(C(F)(Cl)Cl)(F)F |
Product Overview
Methyl 3,3-dichloro-2,2,3-trifluoropropanoate (CAS 13291-19-5), with molecular formula C4H3Cl2F3O2 and molecular weight 209.95 g/mol. IUPAC: methyl 3,3-dichloro-2,2,3-trifluoropropanoate.
Chemical Property Profile of Methyl 3,3-dichloro-2,2,3-trifluoropropanoate
Property Insights of Methyl 3,3-dichloro-2,2,3-trifluoropropanoate
The XLogP value of 1.8956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3-dichloro-2,2,3-trifluoropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,3-dichloro-2,2,3-trifluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3-dichloro-2,2,3-trifluoropropanoate 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 Methyl 3,3-dichloro-2,2,3-trifluoropropanoate?
The CAS number of Methyl 3,3-dichloro-2,2,3-trifluoropropanoate is 13291-19-5.
What is the molecular formula of Methyl 3,3-dichloro-2,2,3-trifluoropropanoate?
The molecular formula of Methyl 3,3-dichloro-2,2,3-trifluoropropanoate is C4H3Cl2F3O2.
What is the molecular weight of Methyl 3,3-dichloro-2,2,3-trifluoropropanoate?
The molecular weight of Methyl 3,3-dichloro-2,2,3-trifluoropropanoate is 209.95 g/mol.
Where can I buy Methyl 3,3-dichloro-2,2,3-trifluoropropanoate?
You can request a quote for Methyl 3,3-dichloro-2,2,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3-dichloro-2,2,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3-dichloro-2,2,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.