3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one

C15H8FNO4 — CID 68624589

IUPAC3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1OC(=Cc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C15H8FNO4/c16-12-6-5-9(7-13(12)17(19)20)8-14-10-3-1-2-4-11(10)15(18)21-14/h1-8H
InChIKeyRZMWEAJYGAUDTO-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.40
Rot. Bonds2

About 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one

3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 68624589) has the molecular formula C15H8FNO4 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
PubChem CID68624589
Molecular FormulaC15H8FNO4
Molecular Weight285.23 g/mol
Exact Mass285.04
IUPAC Name3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1OC(=Cc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C15H8FNO4/c16-12-6-5-9(7-13(12)17(19)20)8-14-10-3-1-2-4-11(10)15(18)21-14/h1-8H
InChIKeyRZMWEAJYGAUDTO-UHFFFAOYSA-N
XLogP3.40
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one (CID 68624589) is 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one is O=C1OC(=Cc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is RZMWEAJYGAUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO4/c16-12-6-5-9(7-13(12)17(19)20)8-14-10-3-1-2-4-11(10)15(18)21-14/h1-8H.
What are the key properties of 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one has a molecular weight of 285.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 68624589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).