Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
TL;DR: Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester (CAS 680-08-0) is a chemical compound with molecular formula C10H12F6O5 and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioate
Also Known As: 1-Hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)malonic acid diethyl ester, MALONIC ACID, (1-HYDROXY-2,2,2-TRIFLUORO-1-TRIFLUOROMETHYL)ETHYL-, DIETHYL ESTER, Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate, diethyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioate, diethyl (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioate
| Molecular Formula | C10H12F6O5 |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.0589 |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 680-08-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | HXVWSPYWLBVECZ-UHFFFAOYSA-N |
Product Overview
Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester (CAS 680-08-0), with molecular formula C10H12F6O5 and molecular weight 326.06 g/mol. IUPAC: diethyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioate.
Chemical Property Profile of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
Property Insights of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester. Following Lipinski's Rule of Five, Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester?
The CAS number of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester is 680-08-0.
What is the molecular formula of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester?
The molecular formula of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester is C10H12F6O5.
What is the molecular weight of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester?
The molecular weight of Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester is 326.06 g/mol.
Where can I buy Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester?
You can request a quote for Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.