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

C16H10FNO2 — CID 22561313

IUPAC1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2(C=O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO2/c17-14-4-2-13(3-5-14)16(10-19)15-6-1-11(8-18)7-12(15)9-20-16/h1-7,10H,9H2
InChIKeyZGPDEMGXBPZROB-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.67
Rot. Bonds2

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

1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile (PubChem CID 22561313) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile
PubChem CID22561313
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2(C=O)c1ccc(F)cc1
InChIInChI=1S/C16H10FNO2/c17-14-4-2-13(3-5-14)16(10-19)15-6-1-11(8-18)7-12(15)9-20-16/h1-7,10H,9H2
InChIKeyZGPDEMGXBPZROB-UHFFFAOYSA-N
XLogP2.67
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile (CID 22561313) is 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile is N#Cc1ccc2c(c1)COC2(C=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile?
The InChIKey is ZGPDEMGXBPZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-14-4-2-13(3-5-14)16(10-19)15-6-1-11(8-18)7-12(15)9-20-16/h1-7,10H,9H2.
What are the key properties of 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile?
1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile has a molecular weight of 267.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile is sourced from PubChem (CID 22561313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).