3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde

C10H7FO2S — CID 131053295

IUPAC3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1ccc(C=O)c2scc(F)c12
InChIInChI=1S/C10H7FO2S/c1-13-8-3-2-6(4-12)10-9(8)7(11)5-14-10/h2-5H,1H3
InChIKeyBSAUCILENGJYAO-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.86
Rot. Bonds2

About 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde

3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde (PubChem CID 131053295) has the molecular formula C10H7FO2S and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
PubChem CID131053295
Molecular FormulaC10H7FO2S
Molecular Weight210.23 g/mol
Exact Mass210.02
IUPAC Name3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
SMILESCOc1ccc(C=O)c2scc(F)c12
InChIInChI=1S/C10H7FO2S/c1-13-8-3-2-6(4-12)10-9(8)7(11)5-14-10/h2-5H,1H3
InChIKeyBSAUCILENGJYAO-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde (CID 131053295) is 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde is COc1ccc(C=O)c2scc(F)c12.
What is the InChIKey of 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde?
The InChIKey is BSAUCILENGJYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2S/c1-13-8-3-2-6(4-12)10-9(8)7(11)5-14-10/h2-5H,1H3.
What are the key properties of 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde?
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde has a molecular weight of 210.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 131053295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).