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

C15H8FNO4 — CID 58823946

IUPAC(3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(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/b14-8-
InChIKeyRZMWEAJYGAUDTO-ZSOIEALJSA-N
MW285.23 g/mol
LogP3.40
Rot. Bonds2

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

(3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 58823946) has the molecular formula C15H8FNO4 and a molecular weight of 285.23 g/mol. Its IUPAC name is (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
PubChem CID58823946
Molecular FormulaC15H8FNO4
Molecular Weight285.23 g/mol
Exact Mass285.04
IUPAC Name(3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(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/b14-8-
InChIKeyRZMWEAJYGAUDTO-ZSOIEALJSA-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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Related Compounds

(3E)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one
CID 18444361
(3E)-3-[(3-amino-4-fluorophenyl)methylidene]-2-benzofuran-1-one
CID 18444356
3-[(3-bromo-4-fluorophenyl)methylidene]-7-nitro-2-benzofuran-1-one
CID 66593652
(3E)-3-[(3-bromo-4-fluorophenyl)methylidene]-4-nitro-2-benzofuran-1-one
CID 69098574
2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoic acid
CID 163197494
(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one
CID 15892031
2-fluoro-4-[(Z)-(5-fluoro-7-nitro-3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
CID 170435535
1-fluoro-2-nitro-4-[(E)-2-nitroethenyl]benzene
CID 79015854
(3Z)-3-[(3-fluorophenyl)methylidene]-6-nitro-2-benzofuran-1-one
CID 169090867
1-[2-fluoro-5-[(3-oxo-2-benzofuran-1-ylidene)methyl]phenyl]-3,3-dimethylindol-2-one
CID 166492320
3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine
CID 13349118

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one (CID 58823946) is (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2ccc(F)c([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is RZMWEAJYGAUDTO-ZSOIEALJSA-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/b14-8-.
What are the key properties of (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one?
(3Z)-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 (3Z)-3-[(4-fluoro-3-nitrophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 58823946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).