5-fluoro-1-benzofuran-3-carbaldehyde

C9H5FO2 — CID 25129802

IUPAC5-fluoro-1-benzofuran-3-carbaldehyde
SMILESO=Cc1coc2ccc(F)cc12
InChIInChI=1S/C9H5FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
InChIKeyLUAQHOIIXDJUOY-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.38
Rot. Bonds1

About 5-fluoro-1-benzofuran-3-carbaldehyde

5-fluoro-1-benzofuran-3-carbaldehyde (PubChem CID 25129802) has the molecular formula C9H5FO2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-fluoro-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1-benzofuran-3-carbaldehyde
PubChem CID25129802
Molecular FormulaC9H5FO2
Molecular Weight164.13 g/mol
Exact Mass164.03
IUPAC Name5-fluoro-1-benzofuran-3-carbaldehyde
SMILESO=Cc1coc2ccc(F)cc12
InChIInChI=1S/C9H5FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
InChIKeyLUAQHOIIXDJUOY-UHFFFAOYSA-N
XLogP2.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-benzofuran-3-carbaldehyde?
The IUPAC name of 5-fluoro-1-benzofuran-3-carbaldehyde (CID 25129802) is 5-fluoro-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 5-fluoro-1-benzofuran-3-carbaldehyde is O=Cc1coc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1-benzofuran-3-carbaldehyde?
The InChIKey is LUAQHOIIXDJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H.
What are the key properties of 5-fluoro-1-benzofuran-3-carbaldehyde?
5-fluoro-1-benzofuran-3-carbaldehyde has a molecular weight of 164.13 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 25129802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).