2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide

C10H9F3N2O3 — CID 6423744

IUPAC2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9(16)14-6-5-7-1-3-8(4-2-7)15(17)18/h1-4H,5-6H2,(H,14,16)
InChIKeyTXKHTPYMJBUBHQ-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.82
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 6423744) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID6423744
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9(16)14-6-5-7-1-3-8(4-2-7)15(17)18/h1-4H,5-6H2,(H,14,16)
InChIKeyTXKHTPYMJBUBHQ-UHFFFAOYSA-N
XLogP1.82
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 6423744) is 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is TXKHTPYMJBUBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)9(16)14-6-5-7-1-3-8(4-2-7)15(17)18/h1-4H,5-6H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 262.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 6423744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).