2-(tert-Butyl)-5-(trifluoromethyl)indoline
TL;DR: 2-(tert-Butyl)-5-(trifluoromethyl)indoline (CAS 596084-18-3) is a chemical compound with molecular formula C13H16F3N and molecular weight 243.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
Also Known As: 2-(tert-Butyl)-5-(trifluoromethyl)indoline, 2-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole, 1H-Indole,2-(1,1-dimethylethyl)-2,3-dihydro-5-(trifluoromethyl)-(9CI), 1H-Indole, 2-(1,1-dimethylethyl)-2,3-dihydro-5-(trifluoromethyl)- (9CI)
| Molecular Formula | C13H16F3N |
|---|---|
| Molecular Weight | 243.12 g/mol |
| LogP | 4.0881 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.12349 |
| Heavy Atoms | 17 |
| Complexity | 429.2712 |
Chemical Identifiers
| CAS Number | 596084-18-3 |
|---|---|
| SMILES | CC(C)(C)C1CC2=C(N1)C=CC(=C2)C(F)(F)F |
Product Overview
2-(tert-Butyl)-5-(trifluoromethyl)indoline (CAS 596084-18-3), with molecular formula C13H16F3N and molecular weight 243.12 g/mol. IUPAC: 2-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
Chemical Property Profile of 2-(tert-Butyl)-5-(trifluoromethyl)indoline
Property Insights of 2-(tert-Butyl)-5-(trifluoromethyl)indoline
The XLogP value of 4.0881 indicates that 2-(tert-Butyl)-5-(trifluoromethyl)indoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(tert-Butyl)-5-(trifluoromethyl)indoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butyl)-5-(trifluoromethyl)indoline has 1 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 2-(tert-Butyl)-5-(trifluoromethyl)indoline?
The CAS number of 2-(tert-Butyl)-5-(trifluoromethyl)indoline is 596084-18-3.
What is the molecular formula of 2-(tert-Butyl)-5-(trifluoromethyl)indoline?
The molecular formula of 2-(tert-Butyl)-5-(trifluoromethyl)indoline is C13H16F3N.
What is the molecular weight of 2-(tert-Butyl)-5-(trifluoromethyl)indoline?
The molecular weight of 2-(tert-Butyl)-5-(trifluoromethyl)indoline is 243.12 g/mol.
Where can I buy 2-(tert-Butyl)-5-(trifluoromethyl)indoline?
You can request a quote for 2-(tert-Butyl)-5-(trifluoromethyl)indoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butyl)-5-(trifluoromethyl)indoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)-5-(trifluoromethyl)indoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.