2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide

C8H5F3N2O4 — CID 18318131

IUPAC2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide
SMILESO=C(Nc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)7(15)12-4-1-2-6(14)5(3-4)13(16)17/h1-3,14H,(H,12,15)
InChIKeyUMGPWYSDVXAAFV-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.80
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide

2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide (PubChem CID 18318131) has the molecular formula C8H5F3N2O4 and a molecular weight of 250.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide
PubChem CID18318131
Molecular FormulaC8H5F3N2O4
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide
SMILESO=C(Nc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)7(15)12-4-1-2-6(14)5(3-4)13(16)17/h1-3,14H,(H,12,15)
InChIKeyUMGPWYSDVXAAFV-UHFFFAOYSA-N
XLogP1.80
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-Nitrophenol
CID 3417419
N-(4-Hydroxy-3-nitrophenyl)acetamide
CID 3322389
2-Bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-Hydroxyethyl picramic acid
CID 5463814
Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-4-nitrophenyl)-
CID 5464597
1-(2-Hydroxy-3-nitro-phenyl)-3-phenyl-urea
CID 11414633
Acetamide, N-(2-hydroxy-5-nitrophenyl)-
CID 3292867
1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea
CID 11818139
5-(2-Hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
N-(2-hydroxy-5-nitrophenyl)butanamide
CID 3599768
Benzeneacetamide, N-(4-hydroxy-3-nitrophenyl)-
CID 11849509
N-(2-hydroxy-5-nitrophenyl)nonanamide
CID 13255814

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide (CID 18318131) is 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide is O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide?
The InChIKey is UMGPWYSDVXAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O4/c9-8(10,11)7(15)12-4-1-2-6(14)5(3-4)13(16)17/h1-3,14H,(H,12,15).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide?
2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide has a molecular weight of 250.13 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide is sourced from PubChem (CID 18318131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).