![3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole structure](/static/products/153/153939-80-1.webp)
3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole
TL;DR: 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole (CAS 153939-80-1) is a chemical compound with molecular formula C16H13FN2O2 and molecular weight 284.0961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole
Also Known As: 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole, J2.602.511G, 3-(1-(4-fluorophenyl)-2-nitroethyl)-1H-indole, 3-[alpha-(Nitromethyl)-4-fluorobenzyl]-1H-indole
Technical Specifications
| Molecular Formula | C16H13FN2O2 |
| Molecular Weight | 284.0961 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0961 Da |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C3=CC=C(C=C3)F |
| InChIKey | DELUHBXUBDRTAX-UHFFFAOYSA-N |
Chemical Property Profile of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole
Property Insights of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole
The XLogP value of 3.7 indicates that 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole. Following Lipinski's Rule of Five, 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole?
The CAS number of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole is 153939-80-1.
What is the molecular formula of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole?
The molecular formula of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole is C16H13FN2O2.
What is the molecular weight of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole?
The molecular weight of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole is 284.0961 g/mol.
Where can I buy 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole?
You can request a quote for 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole?
Yes, CoreyChem provides custom synthesis services for 3-[1-(4-fluorophenyl)-2-nitroethyl]-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.