N-(2-氯烯丙基)三氟乙酰胺
TL;DR: N-(2-氯烯丙基)三氟乙酰胺 (CAS 102585-40-0) is a chemical compound with molecular formula C5H5ClF3NO and molecular weight 187.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-氯烯丙基)三氟乙酰胺
N-(2-chloroprop-2-enyl)-2,2,2-trifluoroacetamide
Also Known As: N-(2-Chloroallyl)trifluoroacetamide, ACETAMIDE, N-(2-CHLOROALLYL)TRIFLUORO-, N-(2-chloroprop-2-enyl)-2,2,2-trifluoroacetamide, n-(2-chloroprop-2-en-1-yl)-2,2,2-trifluoroacetamide, RefChem:315097
| Molecular Formula | C5H5ClF3NO |
|---|---|
| Molecular Weight | 187.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.00117 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 102585-40-0 |
|---|---|
| SMILES | C=C(CNC(=O)C(F)(F)F)Cl |
| InChIKey | WJJHVMCXAATAKG-UHFFFAOYSA-N |
Product Overview
N-(2-氯烯丙基)三氟乙酰胺 (CAS 102585-40-0), with molecular formula C5H5ClF3NO and molecular weight 187.00 g/mol. IUPAC: N-(2-chloroprop-2-enyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(2-氯烯丙基)三氟乙酰胺
Property Insights of N-(2-氯烯丙基)三氟乙酰胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-氯烯丙基)三氟乙酰胺. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-氯烯丙基)三氟乙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-氯烯丙基)三氟乙酰胺 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-(2-氯烯丙基)三氟乙酰胺?
The CAS number of N-(2-氯烯丙基)三氟乙酰胺 is 102585-40-0.
What is the molecular formula of N-(2-氯烯丙基)三氟乙酰胺?
The molecular formula of N-(2-氯烯丙基)三氟乙酰胺 is C5H5ClF3NO.
What is the molecular weight of N-(2-氯烯丙基)三氟乙酰胺?
The molecular weight of N-(2-氯烯丙基)三氟乙酰胺 is 187.00 g/mol.
Where can I buy N-(2-氯烯丙基)三氟乙酰胺?
You can request a quote for N-(2-氯烯丙基)三氟乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-氯烯丙基)三氟乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(2-氯烯丙基)三氟乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.