2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester (CAS 23023-91-8) is a chemical compound with molecular formula C7H6F3NO2 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoropropan-2-yl 2-cyanoprop-2-enoate
Also Known As: Flucrilate, Flucrilato, Flucrilatum, Flucrylate [USAN], Flucrilate [INN]
| Molecular Formula | C7H6F3NO2 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.03506 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 23023-91-8 |
|---|---|
| SMILES | CC(C(F)(F)F)OC(=O)C(=C)C#N |
| InChIKey | MEKBIVQWPIRQNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester (CAS 23023-91-8), with molecular formula C7H6F3NO2 and molecular weight 193.04 g/mol. IUPAC: 1,1,1-trifluoropropan-2-yl 2-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester has 0 hydrogen bond donor(s) and 6 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-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester is 23023-91-8.
What is the molecular formula of 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester is C7H6F3NO2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester is 193.04 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-, 2,2,2-trifluoro-1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.