6-fluoro-1-benzothiophene-5-carbaldehyde

C9H5FOS — CID 15408579

IUPAC6-fluoro-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1cc2ccsc2cc1F
InChIInChI=1S/C9H5FOS/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-5H
InChIKeyAPIOKMURNLQXRJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.85
Rot. Bonds1

About 6-fluoro-1-benzothiophene-5-carbaldehyde

6-fluoro-1-benzothiophene-5-carbaldehyde (PubChem CID 15408579) has the molecular formula C9H5FOS and a molecular weight of 180.20 g/mol. Its IUPAC name is 6-fluoro-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-1-benzothiophene-5-carbaldehyde
PubChem CID15408579
Molecular FormulaC9H5FOS
Molecular Weight180.20 g/mol
Exact Mass180.00
IUPAC Name6-fluoro-1-benzothiophene-5-carbaldehyde
SMILESO=Cc1cc2ccsc2cc1F
InChIInChI=1S/C9H5FOS/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-5H
InChIKeyAPIOKMURNLQXRJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 6-fluoro-1-benzothiophene-5-carbaldehyde (CID 15408579) is 6-fluoro-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 6-fluoro-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 6-fluoro-1-benzothiophene-5-carbaldehyde is O=Cc1cc2ccsc2cc1F.
What is the InChIKey of 6-fluoro-1-benzothiophene-5-carbaldehyde?
The InChIKey is APIOKMURNLQXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FOS/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-5H.
What are the key properties of 6-fluoro-1-benzothiophene-5-carbaldehyde?
6-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 6-fluoro-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 15408579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).