5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde

C9H7FO2 — CID 117273159

IUPAC5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
SMILESO=Cc1c(F)ccc2c1CCO2
InChIInChI=1S/C9H7FO2/c10-8-1-2-9-6(3-4-12-9)7(8)5-11/h1-2,5H,3-4H2
InChIKeyPLZJEQVBLKNYDY-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.57
Rot. Bonds1

About 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde

5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde (PubChem CID 117273159) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
PubChem CID117273159
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
SMILESO=Cc1c(F)ccc2c1CCO2
InChIInChI=1S/C9H7FO2/c10-8-1-2-9-6(3-4-12-9)7(8)5-11/h1-2,5H,3-4H2
InChIKeyPLZJEQVBLKNYDY-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.57
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-2,3-dihydro-1-benzofuran-4-carbaldehyde?
The IUPAC name of 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde (CID 117273159) is 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde?
The canonical SMILES for 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde is O=Cc1c(F)ccc2c1CCO2.
What is the InChIKey of 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde?
The InChIKey is PLZJEQVBLKNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c10-8-1-2-9-6(3-4-12-9)7(8)5-11/h1-2,5H,3-4H2.
What are the key properties of 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde?
5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde has a molecular weight of 166.15 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde is sourced from PubChem (CID 117273159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).