Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate
TL;DR: Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate (CAS 86676-74-6) is a chemical compound with molecular formula C4H3ClF4O2 and molecular weight 193.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-2,2,3,3-tetrafluoropropanoate
Also Known As: Methyl 3-chlorotetrafluoropropionate, methyl 3-chloro-2,2,3,3-tetrafluoropropanoate, 3-Chlorotetrafluoropropanoic acid methyl ester, Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate, Methyl 3-chloroperfluoropropanoate
| Molecular Formula | C4H3ClF4O2 |
|---|---|
| Molecular Weight | 193.98 g/mol |
| LogP | 1.6263 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.97577 |
| Heavy Atoms | 11 |
| Complexity | 163.96523 |
Chemical Identifiers
| CAS Number | 86676-74-6 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)Cl)(F)F |
Product Overview
Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate (CAS 86676-74-6), with molecular formula C4H3ClF4O2 and molecular weight 193.98 g/mol. IUPAC: methyl 3-chloro-2,2,3,3-tetrafluoropropanoate.
Chemical Property Profile of Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate
Property Insights of Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate
The XLogP value of 1.6263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate 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-Chloro-2,2,3,3-tetrafluoropropionate?
The CAS number of Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate is 86676-74-6.
What is the molecular formula of Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate?
The molecular formula of Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate is C4H3ClF4O2.
What is the molecular weight of Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate?
The molecular weight of Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate is 193.98 g/mol.
Where can I buy Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate?
You can request a quote for Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Chloro-2,2,3,3-tetrafluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.