1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile

C15H8FNO2 — CID 18761817

IUPAC1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)OC2c1ccc(F)cc1
InChIInChI=1S/C15H8FNO2/c16-11-4-2-10(3-5-11)14-12-6-1-9(8-17)7-13(12)15(18)19-14/h1-7,14H
InChIKeyVVXGNGGTQDOLGK-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.96
Rot. Bonds1

About 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile

1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile (PubChem CID 18761817) has the molecular formula C15H8FNO2 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile
PubChem CID18761817
Molecular FormulaC15H8FNO2
Molecular Weight253.23 g/mol
Exact Mass253.05
IUPAC Name1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)OC2c1ccc(F)cc1
InChIInChI=1S/C15H8FNO2/c16-11-4-2-10(3-5-11)14-12-6-1-9(8-17)7-13(12)15(18)19-14/h1-7,14H
InChIKeyVVXGNGGTQDOLGK-UHFFFAOYSA-N
XLogP2.96
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile (CID 18761817) is 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile is N#Cc1ccc2c(c1)C(=O)OC2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile?
The InChIKey is VVXGNGGTQDOLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO2/c16-11-4-2-10(3-5-11)14-12-6-1-9(8-17)7-13(12)15(18)19-14/h1-7,14H.
What are the key properties of 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile?
1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile has a molecular weight of 253.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carbonitrile is sourced from PubChem (CID 18761817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).