N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide
TL;DR: N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide (CAS 313981-05-4) is a chemical compound with molecular formula C12H10F6N2O3 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide
Also Known As: N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide, 2,2-bis(trifluoromethyl)-N-(3-nitrophenyl)butanamide
| Molecular Formula | C12H10F6N2O3 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 4.0543 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.05957 |
| Heavy Atoms | 23 |
| Complexity | 597.54895 |
Chemical Identifiers
| CAS Number | 313981-05-4 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F |
Product Overview
N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide (CAS 313981-05-4), with molecular formula C12H10F6N2O3 and molecular weight 344.06 g/mol. IUPAC: N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide.
Chemical Property Profile of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide
Property Insights of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide
The XLogP value of 4.0543 indicates that N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide. Following Lipinski's Rule of Five, N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide 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
Frequently Asked Questions
What is the CAS number of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide?
The CAS number of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide is 313981-05-4.
What is the molecular formula of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide?
The molecular formula of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide is C12H10F6N2O3.
What is the molecular weight of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide?
The molecular weight of N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide is 344.06 g/mol.
Where can I buy N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide?
You can request a quote for N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrophenyl)-2,2-bis(trifluoromethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.