7-fluoro-1-benzothiophene-3-carbaldehyde

C9H5FOS — CID 82374224

IUPAC7-fluoro-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1csc2c(F)cccc12
InChIInChI=1S/C9H5FOS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-5H
InChIKeyNGCZJUUYQAFJMR-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.85
Rot. Bonds1

About 7-fluoro-1-benzothiophene-3-carbaldehyde

7-fluoro-1-benzothiophene-3-carbaldehyde (PubChem CID 82374224) has the molecular formula C9H5FOS and a molecular weight of 180.20 g/mol. Its IUPAC name is 7-fluoro-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-1-benzothiophene-3-carbaldehyde
PubChem CID82374224
Molecular FormulaC9H5FOS
Molecular Weight180.20 g/mol
Exact Mass180.00
IUPAC Name7-fluoro-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1csc2c(F)cccc12
InChIInChI=1S/C9H5FOS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-5H
InChIKeyNGCZJUUYQAFJMR-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 7-fluoro-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 7-fluoro-1-benzothiophene-3-carbaldehyde (CID 82374224) is 7-fluoro-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 7-fluoro-1-benzothiophene-3-carbaldehyde is O=Cc1csc2c(F)cccc12.
What is the InChIKey of 7-fluoro-1-benzothiophene-3-carbaldehyde?
The InChIKey is NGCZJUUYQAFJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FOS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-5H.
What are the key properties of 7-fluoro-1-benzothiophene-3-carbaldehyde?
7-fluoro-1-benzothiophene-3-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 7-fluoro-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 82374224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).