N-(4-cyanophenyl)-2,2,2-trifluoroacetamide
TL;DR: N-(4-cyanophenyl)-2,2,2-trifluoroacetamide (CAS 62926-88-9) is a chemical compound with molecular formula C9H5F3N2O and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-2,2,2-trifluoroacetamide
Also Known As: N-(4-cyanophenyl)-2,2,2-trifluoroacetamide, p-(trifluoroacetamido)benzonitrile, Acetamide, N-(4-cyanophenyl)-2,2,2-trifluoro-, J1.105.105G, N-(4-cyanophenyl)-alpha, alpha, alpha-trifluoroacetoamide
| Molecular Formula | C9H5F3N2O |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.0354 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 62926-88-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=O)C(F)(F)F |
| InChIKey | VPJKIULOCQCMPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-cyanophenyl)-2,2,2-trifluoroacetamide (CAS 62926-88-9), with molecular formula C9H5F3N2O and molecular weight 214.04 g/mol. IUPAC: N-(4-cyanophenyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide
Property Insights of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-cyanophenyl)-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(4-cyanophenyl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-cyanophenyl)-2,2,2-trifluoroacetamide has 1 hydrogen bond donor(s) and 5 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 N-(4-cyanophenyl)-2,2,2-trifluoroacetamide?
The CAS number of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide is 62926-88-9.
What is the molecular formula of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide is C9H5F3N2O.
What is the molecular weight of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide is 214.04 g/mol.
Where can I buy N-(4-cyanophenyl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(4-cyanophenyl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-cyanophenyl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-cyanophenyl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.