2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline (CAS 55649-51-9) 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-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
Also Known As: 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline, 1,2,3,4-Tetrahydro-2- isoquinoline, 1,2,3,4-Tetrahydroisoquinoline, TFA, 1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
| Molecular Formula | C11H10F3NO |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.07144 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 55649-51-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C(F)(F)F |
| InChIKey | DVTYJMQWZHKOTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline (CAS 55649-51-9), with molecular formula C11H10F3NO and molecular weight 229.07 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 20.3 Ų, 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline has 0 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 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline is 55649-51-9.
What is the molecular formula of 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline is C11H10F3NO.
What is the molecular weight of 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline is 229.07 g/mol.
Where can I buy 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.