![2-[2-(Trifluoromethyl)benzylidene]malonic acid structure](/static/products/5881/58818-73-8.webp)
2-[2-(Trifluoromethyl)benzylidene]malonic acid
TL;DR: 2-[2-(Trifluoromethyl)benzylidene]malonic acid (CAS 58818-73-8) is a chemical compound with molecular formula C11H7F3O4 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(trifluoromethyl)phenyl]methylidene]propanedioic acid
Also Known As: 2-[2-(TRIFLUOROMETHYL)BENZYLIDENE]MALONIC ACID, 2-(2-(Trifluoromethyl)benzylidene)malonic acid, [2-(trifluoromethyl)benzylidene]propanedioic acid, 2-[[2-(trifluoromethyl)phenyl]methylidene]propanedioic Acid, 2-{[2-(trifluoromethyl)phenyl]methylene}malonic acid
| Molecular Formula | C11H7F3O4 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 2.258 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02963 |
| Heavy Atoms | 18 |
| Complexity | 501.26477 |
Chemical Identifiers
| CAS Number | 58818-73-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C(=O)O)C(=O)O)C(F)(F)F |
Product Overview
2-[2-(Trifluoromethyl)benzylidene]malonic acid (CAS 58818-73-8), with molecular formula C11H7F3O4 and molecular weight 260.03 g/mol. IUPAC: 2-[[2-(trifluoromethyl)phenyl]methylidene]propanedioic acid.
Chemical Property Profile of 2-[2-(Trifluoromethyl)benzylidene]malonic acid
Property Insights of 2-[2-(Trifluoromethyl)benzylidene]malonic acid
The XLogP value of 2.258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Trifluoromethyl)benzylidene]malonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Trifluoromethyl)benzylidene]malonic acid. Following Lipinski's Rule of Five, 2-[2-(Trifluoromethyl)benzylidene]malonic acid has 2 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 2-[2-(Trifluoromethyl)benzylidene]malonic acid?
The CAS number of 2-[2-(Trifluoromethyl)benzylidene]malonic acid is 58818-73-8.
What is the molecular formula of 2-[2-(Trifluoromethyl)benzylidene]malonic acid?
The molecular formula of 2-[2-(Trifluoromethyl)benzylidene]malonic acid is C11H7F3O4.
What is the molecular weight of 2-[2-(Trifluoromethyl)benzylidene]malonic acid?
The molecular weight of 2-[2-(Trifluoromethyl)benzylidene]malonic acid is 260.03 g/mol.
Where can I buy 2-[2-(Trifluoromethyl)benzylidene]malonic acid?
You can request a quote for 2-[2-(Trifluoromethyl)benzylidene]malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Trifluoromethyl)benzylidene]malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Trifluoromethyl)benzylidene]malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.