2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide

C8H4F3N3O6 — CID 5222967

IUPAC2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide
SMILESO=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(F)(F)F
InChIInChI=1S/C8H4F3N3O6/c9-8(10,11)7(16)12-4-1-3(13(17)18)2-5(6(4)15)14(19)20/h1-2,15H,(H,12,16)
InChIKeyCXBXTIXTTDTIBS-UHFFFAOYSA-N
MW295.13 g/mol
LogP1.71
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide

2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide (PubChem CID 5222967) has the molecular formula C8H4F3N3O6 and a molecular weight of 295.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide
PubChem CID5222967
Molecular FormulaC8H4F3N3O6
Molecular Weight295.13 g/mol
Exact Mass295.01
IUPAC Name2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide
SMILESO=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(F)(F)F
InChIInChI=1S/C8H4F3N3O6/c9-8(10,11)7(16)12-4-1-3(13(17)18)2-5(6(4)15)14(19)20/h1-2,15H,(H,12,16)
InChIKeyCXBXTIXTTDTIBS-UHFFFAOYSA-N
XLogP1.71
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide (CID 5222967) is 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide is O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide?
The InChIKey is CXBXTIXTTDTIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O6/c9-8(10,11)7(16)12-4-1-3(13(17)18)2-5(6(4)15)14(19)20/h1-2,15H,(H,12,16).
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide?
2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide has a molecular weight of 295.13 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxy-3,5-dinitrophenyl)acetamide is sourced from PubChem (CID 5222967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).