2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C10H9F3N2O4 — CID 2500342

IUPAC2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCC(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)6-14-9(16)5-19-8-4-2-1-3-7(8)15(17)18/h1-4H,5-6H2,(H,14,16)
InChIKeyMSEGWXQQPZGTPM-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2500342) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2500342
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCC(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)6-14-9(16)5-19-8-4-2-1-3-7(8)15(17)18/h1-4H,5-6H2,(H,14,16)
InChIKeyMSEGWXQQPZGTPM-UHFFFAOYSA-N
XLogP1.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-[5-(hydroxymethyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62116596
N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide
CID 51164344
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 4215025
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 62520470
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 2500342) is 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NCC(F)(F)F.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MSEGWXQQPZGTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)6-14-9(16)5-19-8-4-2-1-3-7(8)15(17)18/h1-4H,5-6H2,(H,14,16).
What are the key properties of 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.19 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2500342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).