3'-(Trifluoromethyl)-2-butenanilide
TL;DR: 3'-(Trifluoromethyl)-2-butenanilide (CAS 1939-18-0) is a chemical compound with molecular formula C11H10F3NO and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(trifluoromethyl)phenyl]but-2-enamide
Also Known As: N-[3-(trifluoromethyl)phenyl]but-2-enamide, 3'-(TRIFLUOROMETHYL)-2-BUTENANILIDE, (E)-N-[3-(trifluoromethyl)phenyl]but-2-enamide, 659-303-7, RefChem:484594
| Molecular Formula | C11H10F3NO |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.07144 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 1939-18-0 |
|---|---|
| SMILES | CC=CC(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | YMUJNXBVYSCKFI-UHFFFAOYSA-N |
Product Overview
3'-(Trifluoromethyl)-2-butenanilide (CAS 1939-18-0), with molecular formula C11H10F3NO and molecular weight 229.07 g/mol. IUPAC: N-[3-(trifluoromethyl)phenyl]but-2-enamide.
Chemical Property Profile of 3'-(Trifluoromethyl)-2-butenanilide
Property Insights of 3'-(Trifluoromethyl)-2-butenanilide
The XLogP value of 3.4 indicates that 3'-(Trifluoromethyl)-2-butenanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3'-(Trifluoromethyl)-2-butenanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-(Trifluoromethyl)-2-butenanilide 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 3'-(Trifluoromethyl)-2-butenanilide?
The CAS number of 3'-(Trifluoromethyl)-2-butenanilide is 1939-18-0.
What is the molecular formula of 3'-(Trifluoromethyl)-2-butenanilide?
The molecular formula of 3'-(Trifluoromethyl)-2-butenanilide is C11H10F3NO.
What is the molecular weight of 3'-(Trifluoromethyl)-2-butenanilide?
The molecular weight of 3'-(Trifluoromethyl)-2-butenanilide is 229.07 g/mol.
Where can I buy 3'-(Trifluoromethyl)-2-butenanilide?
You can request a quote for 3'-(Trifluoromethyl)-2-butenanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(Trifluoromethyl)-2-butenanilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-(Trifluoromethyl)-2-butenanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.