2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one
TL;DR: 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one (CAS 657-15-8) is a chemical compound with molecular formula C8H4F3NO3 and molecular weight 219.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(3-nitrophenyl)ethanone
Also Known As: 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone, 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one, 3'-NITRO-2,2,2-TRIFLUOROACETOPHENONE, 2,2,2-Trifluoro-3'-nitroacetophenone, (3-Nitrobenzoyl)trifluoromethane
| Molecular Formula | C8H4F3NO3 |
|---|---|
| Molecular Weight | 219.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.01433 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 657-15-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
| InChIKey | QADCNGZPRUSTJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one (CAS 657-15-8), with molecular formula C8H4F3NO3 and molecular weight 219.01 g/mol. IUPAC: 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one
Property Insights of 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one has 0 hydrogen bond donor(s) and 6 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 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one?
The CAS number of 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one is 657-15-8.
What is the molecular formula of 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one?
The molecular formula of 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one is C8H4F3NO3.
What is the molecular weight of 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one?
The molecular weight of 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one is 219.01 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one?
You can request a quote for 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.