1,1,2,2,3,3-Hexafluoro-4-nitroindane
TL;DR: 1,1,2,2,3,3-Hexafluoro-4-nitroindane (CAS 63002-45-9) is a chemical compound with molecular formula C9H3F6NO2 and molecular weight 271.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,2,3,3-hexafluoro-4-nitroindene
Also Known As: 1,1,2,2,3,3-hexafluoro-4-nitroindane, 1,1,2,2,3,3-hexafluoro-4-nitroindene, 4-nitro-1,1,2,2,3,3-hexafluoroindane
| Molecular Formula | C9H3F6NO2 |
|---|---|
| Molecular Weight | 271.01 g/mol |
| LogP | 3.4273 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.0068 |
| Heavy Atoms | 18 |
| Complexity | 541.85944 |
Chemical Identifiers
| CAS Number | 63002-45-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(C(C2(F)F)(F)F)(F)F |
Product Overview
1,1,2,2,3,3-Hexafluoro-4-nitroindane (CAS 63002-45-9), with molecular formula C9H3F6NO2 and molecular weight 271.01 g/mol. IUPAC: 1,1,2,2,3,3-hexafluoro-4-nitroindene.
Chemical Property Profile of 1,1,2,2,3,3-Hexafluoro-4-nitroindane
Property Insights of 1,1,2,2,3,3-Hexafluoro-4-nitroindane
The XLogP value of 3.4273 indicates that 1,1,2,2,3,3-Hexafluoro-4-nitroindane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1,1,2,2,3,3-Hexafluoro-4-nitroindane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,2,3,3-Hexafluoro-4-nitroindane has 0 hydrogen bond donor(s) and 2 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 1,1,2,2,3,3-Hexafluoro-4-nitroindane?
The CAS number of 1,1,2,2,3,3-Hexafluoro-4-nitroindane is 63002-45-9.
What is the molecular formula of 1,1,2,2,3,3-Hexafluoro-4-nitroindane?
The molecular formula of 1,1,2,2,3,3-Hexafluoro-4-nitroindane is C9H3F6NO2.
What is the molecular weight of 1,1,2,2,3,3-Hexafluoro-4-nitroindane?
The molecular weight of 1,1,2,2,3,3-Hexafluoro-4-nitroindane is 271.01 g/mol.
Where can I buy 1,1,2,2,3,3-Hexafluoro-4-nitroindane?
You can request a quote for 1,1,2,2,3,3-Hexafluoro-4-nitroindane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,2,3,3-Hexafluoro-4-nitroindane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,2,3,3-Hexafluoro-4-nitroindane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.