N-Benzyl-2,2,2-trifluoroethanimidic acid
TL;DR: N-Benzyl-2,2,2-trifluoroethanimidic acid (CAS 96782-89-7) is a chemical compound with molecular formula C9H8F3NO and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2,2,2-trifluoroacetamide
Also Known As: N-Benzyl-2,2,2-trifluoroacetamide, N-Benzyltrifluoroacetamide, trifluoroacetylbenzylamine, N-benzyl-2,2,2-trifluoro-acetamide, N-benzyl-trifluoroacetamide
| Molecular Formula | C9H8F3NO |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.0558 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 96782-89-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C(F)(F)F |
| InChIKey | DEXVYKWXVWAYGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzyl-2,2,2-trifluoroethanimidic acid (CAS 96782-89-7), with molecular formula C9H8F3NO and molecular weight 203.06 g/mol. IUPAC: N-benzyl-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-Benzyl-2,2,2-trifluoroethanimidic acid
Property Insights of N-Benzyl-2,2,2-trifluoroethanimidic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-2,2,2-trifluoroethanimidic acid. With a topological polar surface area (TPSA) of 29.1 Ų, N-Benzyl-2,2,2-trifluoroethanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-2,2,2-trifluoroethanimidic acid has 1 hydrogen bond donor(s) and 4 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-Benzyl-2,2,2-trifluoroethanimidic acid?
The CAS number of N-Benzyl-2,2,2-trifluoroethanimidic acid is 96782-89-7.
What is the molecular formula of N-Benzyl-2,2,2-trifluoroethanimidic acid?
The molecular formula of N-Benzyl-2,2,2-trifluoroethanimidic acid is C9H8F3NO.
What is the molecular weight of N-Benzyl-2,2,2-trifluoroethanimidic acid?
The molecular weight of N-Benzyl-2,2,2-trifluoroethanimidic acid is 203.06 g/mol.
Where can I buy N-Benzyl-2,2,2-trifluoroethanimidic acid?
You can request a quote for N-Benzyl-2,2,2-trifluoroethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-2,2,2-trifluoroethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-2,2,2-trifluoroethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.