2-Benzoylamino-3,3,3-trifluoro-1-nitropropane
TL;DR: 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane (CAS 148112-49-6) is a chemical compound with molecular formula C10H9F3N2O3 and molecular weight 262.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,1,1-trifluoro-3-nitropropan-2-yl)benzamide
Also Known As: 2-BENZOYLAMINO-3,3,3-TRIFLUORO-1-NITROPROPANE, N-(1,1,1-trifluoro-3-nitropropan-2-yl)benzamide, J1.288.015D, N-[1-(Trifluoromethyl)-2-nitroethyl]benzamide, Benzamide, N-(2-nitro-1-trifluoromethylethyl)-
Technical Specifications
| Molecular Formula | C10H9F3N2O3 |
| Molecular Weight | 262.05652 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.05652 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(C[N+](=O)[O-])C(F)(F)F |
| InChIKey | SQCRVJCAYRAQPE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane
Property Insights of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane. Following Lipinski's Rule of Five, 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane?
The CAS number of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane is 148112-49-6.
What is the molecular formula of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane?
The molecular formula of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane is C10H9F3N2O3.
What is the molecular weight of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane?
The molecular weight of 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane is 262.05652 g/mol.
Where can I buy 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane?
You can request a quote for 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane?
Yes, CoreyChem provides custom synthesis services for 2-Benzoylamino-3,3,3-trifluoro-1-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.