![N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide structure](/static/products/6389/63898-17-9.webp)
N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
TL;DR: N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide (CAS 63898-17-9) is a chemical compound with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
Also Known As: N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide, Acetamide, N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoro-, 4-AMINO-6-METHYL-3-NITROPYRIDIN-2-OL, N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoro-acetamide, N-(4-(NITRILOMETHYL)PHENYL)-2,2,2-TRIFLUOROETHANAMIDE
| Molecular Formula | C10H7F3N2O |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.25348 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.05104 |
| Heavy Atoms | 16 |
| Complexity | 417.17566 |
Chemical Identifiers
| CAS Number | 63898-17-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)NC(=O)C(F)(F)F |
Product Overview
N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide (CAS 63898-17-9), with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol. IUPAC: N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
Property Insights of N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
The XLogP value of 2.25348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide has 1 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 N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide?
The CAS number of N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide is 63898-17-9.
What is the molecular formula of N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide?
The molecular formula of N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide is C10H7F3N2O.
What is the molecular weight of N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide?
The molecular weight of N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide is 228.05 g/mol.
Where can I buy N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide?
You can request a quote for N-[4-(cyanomethyl)phenyl]-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-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.