2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile

C16H8FNO2 — CID 53485387

IUPAC2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
SMILESN#Cc1cc(/C=C2\OC(=O)c3ccccc32)ccc1F
InChIInChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H/b15-8-
InChIKeyMMPHWTMMVPBHRZ-NVNXTCNLSA-N
MW265.24 g/mol
LogP3.37
Rot. Bonds1

About 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile

2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile (PubChem CID 53485387) has the molecular formula C16H8FNO2 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
PubChem CID53485387
Molecular FormulaC16H8FNO2
Molecular Weight265.24 g/mol
Exact Mass265.05
IUPAC Name2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
SMILESN#Cc1cc(/C=C2\OC(=O)c3ccccc32)ccc1F
InChIInChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H/b15-8-
InChIKeyMMPHWTMMVPBHRZ-NVNXTCNLSA-N
XLogP3.37
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylbenzylidene)-2-benzofuran-1(3H)-one
CID 678302
Benzalphthalide, (Z)-
CID 642371
Benzalphthalide, (E)-
CID 700611
Benzylidenephthalide
CID 68464
3-(2-methylbenzylidene)-2-benzofuran-1(3H)-one
CID 678304
Citalopram propionic acid
CID 10403174
4-Fluorobenzylidenephthalide
CID 677842
1H-Inden-1-one, 3-(acetyloxy)-2-(2,4,6-trimethylphenyl)-
CID 845934
1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile
CID 821218
(3Z)-3-benzylidene-5,7-dimethyl-2-benzofuran-1-one
CID 72189524
1-oxo-3-phenyl-1H-isochromene-4-carbonitrile
CID 819926
3-(4-Fluorophenyl)isobenzofuran-1(3H)-one
CID 3810587

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile (CID 53485387) is 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile is N#Cc1cc(/C=C2\OC(=O)c3ccccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile?
The InChIKey is MMPHWTMMVPBHRZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H/b15-8-.
What are the key properties of 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile?
2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile has a molecular weight of 265.24 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile is sourced from PubChem (CID 53485387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).