![(2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid structure](/static/products/7097/70976-13-5.webp)
(2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid
TL;DR: (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid (CAS 70976-13-5) is a chemical compound with molecular formula C6H7F3O4 and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid
Also Known As: (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid, IFLab1_003587, Bis(2,4-dimethoxybenzyl)amine, 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid, IDI1_009694
| Molecular Formula | C6H7F3O4 |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.02965 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 70976-13-5 |
|---|---|
| SMILES | C1COC(O1)(CC(=O)O)C(F)(F)F |
| InChIKey | MPZHFZZRKBOXNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid (CAS 70976-13-5), with molecular formula C6H7F3O4 and molecular weight 200.03 g/mol. IUPAC: 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid.
Chemical Property Profile of (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid
Property Insights of (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid. With a topological polar surface area (TPSA) of 55.8 Ų, (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid has 1 hydrogen bond donor(s) and 7 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-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid?
The CAS number of (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid is 70976-13-5.
What is the molecular formula of (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid?
The molecular formula of (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid is C6H7F3O4.
What is the molecular weight of (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid?
The molecular weight of (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid is 200.03 g/mol.
Where can I buy (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid?
You can request a quote for (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.