N-butan-2-yl-2,2,2-trifluoroacetamide
TL;DR: N-butan-2-yl-2,2,2-trifluoroacetamide (CAS 1815-81-2) is a chemical compound with molecular formula C6H10F3NO and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-2,2,2-trifluoroacetamide
Also Known As: N-butan-2-yl-2,2,2-trifluoroacetamide, N-(2-Butyl)trifluoroacetamide, N-Sec-Butyl-2,2,2-Trifluoroacetamide, Acetamide, N-sec-butyl-2,2,2-trifluoro-, 2,2,2-Trifluoro-N-(1-methylpropyl)acetamide
| Molecular Formula | C6H10F3NO |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.07144 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 1815-81-2 |
|---|---|
| SMILES | CCC(C)NC(=O)C(F)(F)F |
| InChIKey | MOAMIZJDECJMPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butan-2-yl-2,2,2-trifluoroacetamide (CAS 1815-81-2), with molecular formula C6H10F3NO and molecular weight 169.07 g/mol. IUPAC: N-butan-2-yl-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-butan-2-yl-2,2,2-trifluoroacetamide
Property Insights of N-butan-2-yl-2,2,2-trifluoroacetamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butan-2-yl-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-butan-2-yl-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butan-2-yl-2,2,2-trifluoroacetamide 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-butan-2-yl-2,2,2-trifluoroacetamide?
The CAS number of N-butan-2-yl-2,2,2-trifluoroacetamide is 1815-81-2.
What is the molecular formula of N-butan-2-yl-2,2,2-trifluoroacetamide?
The molecular formula of N-butan-2-yl-2,2,2-trifluoroacetamide is C6H10F3NO.
What is the molecular weight of N-butan-2-yl-2,2,2-trifluoroacetamide?
The molecular weight of N-butan-2-yl-2,2,2-trifluoroacetamide is 169.07 g/mol.
Where can I buy N-butan-2-yl-2,2,2-trifluoroacetamide?
You can request a quote for N-butan-2-yl-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-butan-2-yl-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-butan-2-yl-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.