1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol
TL;DR: 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol (CAS 24167-53-1) is a chemical compound with molecular formula C9H5F6NO3 and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-ol
Also Known As: 1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-ol, Benzenemethanol,3-nitro-a,a-bis(trifluoromethyl)-, 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)-2-propanol, Benzenemethanol, 3-nitro-alpha,alpha-bis(trifluoromethyl)-, 1-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-3-nitrobenzene
| Molecular Formula | C9H5F6NO3 |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.01736 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 24167-53-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | RAABHVDDVYONFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol (CAS 24167-53-1), with molecular formula C9H5F6NO3 and molecular weight 289.02 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-ol.
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol
Property Insights of 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol has 1 hydrogen bond donor(s) and 9 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 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol?
The CAS number of 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol is 24167-53-1.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol?
The molecular formula of 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol is C9H5F6NO3.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol?
The molecular weight of 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol is 289.02 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol?
You can request a quote for 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.