3-(Trifluoroacetyl)indole
TL;DR: 3-(Trifluoroacetyl)indole (CAS 14618-45-2) is a chemical compound with molecular formula C10H6F3NO and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
Also Known As: 3-(Trifluoroacetyl)indole, INDOLE3trifluoroacetyl, 2,6-Difluorostyrene, trifluoroindolylethanone, 3-trifluoroacetylindole
| Molecular Formula | C10H6F3NO |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.04015 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 14618-45-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)C(F)(F)F |
| InChIKey | LCMDCXWSHDFQKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoroacetyl)indole (CAS 14618-45-2), with molecular formula C10H6F3NO and molecular weight 213.04 g/mol. IUPAC: 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone.
Chemical Property Profile of 3-(Trifluoroacetyl)indole
Property Insights of 3-(Trifluoroacetyl)indole
The XLogP value of 3.4 indicates that 3-(Trifluoroacetyl)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.9 Ų, 3-(Trifluoroacetyl)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoroacetyl)indole 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-(Trifluoroacetyl)indole?
The CAS number of 3-(Trifluoroacetyl)indole is 14618-45-2.
What is the molecular formula of 3-(Trifluoroacetyl)indole?
The molecular formula of 3-(Trifluoroacetyl)indole is C10H6F3NO.
What is the molecular weight of 3-(Trifluoroacetyl)indole?
The molecular weight of 3-(Trifluoroacetyl)indole is 213.04 g/mol.
Where can I buy 3-(Trifluoroacetyl)indole?
You can request a quote for 3-(Trifluoroacetyl)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoroacetyl)indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoroacetyl)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.