Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
TL;DR: Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate (CAS 360-54-3) is a chemical compound with molecular formula C5H4F6O2 and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Also Known As: Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate, Methyl hexafluoroisobutyrate, TRIPHENYLMETHANE, MMP-2 Inhibitor II, Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propionate
| Molecular Formula | C5H4F6O2 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.01155 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 360-54-3 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)C(F)(F)F |
| InChIKey | JGGBVFLRNNDHCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate (CAS 360-54-3), with molecular formula C5H4F6O2 and molecular weight 210.01 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate.
Chemical Property Profile of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
Property Insights of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate has 0 hydrogen bond donor(s) and 8 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 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
The CAS number of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is 360-54-3.
What is the molecular formula of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
The molecular formula of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is C5H4F6O2.
What is the molecular weight of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
The molecular weight of Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate is 210.01 g/mol.
Where can I buy Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
You can request a quote for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.