4-fluoro-1-benzothiophene-5-carbaldehyde

C9H5FOS — CID 15408585

IUPAC4-fluoro-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1ccc2sccc2c1F
InChIInChI=1S/C9H5FOS/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-5H
InChIKeyJENUHQDFCAHBSS-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.85
Rot. Bonds1

About 4-fluoro-1-benzothiophene-5-carbaldehyde

4-fluoro-1-benzothiophene-5-carbaldehyde (PubChem CID 15408585) has the molecular formula C9H5FOS and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-fluoro-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-benzothiophene-5-carbaldehyde
PubChem CID15408585
Molecular FormulaC9H5FOS
Molecular Weight180.20 g/mol
Exact Mass180.00
IUPAC Name4-fluoro-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1ccc2sccc2c1F
InChIInChI=1S/C9H5FOS/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-5H
InChIKeyJENUHQDFCAHBSS-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-benzothiophene-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 4-fluoro-1-benzothiophene-5-carbaldehyde (CID 15408585) is 4-fluoro-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 4-fluoro-1-benzothiophene-5-carbaldehyde is O=Cc1ccc2sccc2c1F.
What is the InChIKey of 4-fluoro-1-benzothiophene-5-carbaldehyde?
The InChIKey is JENUHQDFCAHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FOS/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-5H.
What are the key properties of 4-fluoro-1-benzothiophene-5-carbaldehyde?
4-fluoro-1-benzothiophene-5-carbaldehyde has a molecular weight of 180.20 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 15408585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).