1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone
TL;DR: 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone (CAS 79066-90-3) 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.
1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone
Also Known As: Maybridge4_003087, 2,2,2-trifluoro-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone, 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone, 1,2,3,4-Tetrahydro-1-(trifluoroacetyl)quinoline
| Molecular Formula | C11H10F3NO |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.5281 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.07144 |
| Heavy Atoms | 16 |
| Complexity | 413.93585 |
Chemical Identifiers
| CAS Number | 79066-90-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)C(F)(F)F |
Product Overview
1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone (CAS 79066-90-3), with molecular formula C11H10F3NO and molecular weight 229.07 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone
Property Insights of 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone
The XLogP value of 2.5281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone has 0 hydrogen bond donor(s) and 1 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 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone?
The CAS number of 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone is 79066-90-3.
What is the molecular formula of 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone?
The molecular formula of 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone is C11H10F3NO.
What is the molecular weight of 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone?
The molecular weight of 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone is 229.07 g/mol.
Where can I buy 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone?
You can request a quote for 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.