4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde

C10H7FO2S — CID 130941215

IUPAC4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde
SMILESCOc1c(C=O)sc2cccc(F)c12
InChIInChI=1S/C10H7FO2S/c1-13-10-8(5-12)14-7-4-2-3-6(11)9(7)10/h2-5H,1H3
InChIKeyUICNNHURWMFHPT-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.86
Rot. Bonds2

About 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde

4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde (PubChem CID 130941215) has the molecular formula C10H7FO2S and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde
PubChem CID130941215
Molecular FormulaC10H7FO2S
Molecular Weight210.23 g/mol
Exact Mass210.02
IUPAC Name4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde
SMILESCOc1c(C=O)sc2cccc(F)c12
InChIInChI=1S/C10H7FO2S/c1-13-10-8(5-12)14-7-4-2-3-6(11)9(7)10/h2-5H,1H3
InChIKeyUICNNHURWMFHPT-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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Related Compounds

3-methoxy-4,5-dimethyl-1-benzothiophene-2-carbaldehyde
CID 96607938
4-methoxy-1-benzothiophene-2,3-dicarbaldehyde
CID 155577490
3-bromo-4-methoxy-1-benzothiophene-2-carbaldehyde
CID 130901126
3-fluoro-4-iodo-1-benzothiophene-2-carbaldehyde
CID 131219098
N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845819
2-fluoro-3,4-dimethoxy-1-benzothiophene
CID 130786112
4-hydroxy-3-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130985907
4-fluoro-3-methoxy-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 50845886
(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 50845916
3-bromo-4-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130878594
7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 82374290
N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845820

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde (CID 130941215) is 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde is COc1c(C=O)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde?
The InChIKey is UICNNHURWMFHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2S/c1-13-10-8(5-12)14-7-4-2-3-6(11)9(7)10/h2-5H,1H3.
What are the key properties of 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde?
4-fluoro-3-methoxy-1-benzothiophene-2-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 4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 130941215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).