6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde

C11H9FO2S — CID 82374297

IUPAC6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde
SMILESCOc1cc2c(C)c(C=O)sc2cc1F
InChIInChI=1S/C11H9FO2S/c1-6-7-3-9(14-2)8(12)4-10(7)15-11(6)5-13/h3-5H,1-2H3
InChIKeyLEAPFERQIKZPQT-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.17
Rot. Bonds2

About 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde

6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde (PubChem CID 82374297) has the molecular formula C11H9FO2S and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde
PubChem CID82374297
Molecular FormulaC11H9FO2S
Molecular Weight224.26 g/mol
Exact Mass224.03
IUPAC Name6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde
SMILESCOc1cc2c(C)c(C=O)sc2cc1F
InChIInChI=1S/C11H9FO2S/c1-6-7-3-9(14-2)8(12)4-10(7)15-11(6)5-13/h3-5H,1-2H3
InChIKeyLEAPFERQIKZPQT-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.17
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

5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 105459946
4,6-difluoro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 131432948
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
6-bromo-3-methyl-1-benzothiophene-2-carbaldehyde
CID 58918001
6-fluoro-5-methoxy-2-methyl-1-benzothiophene
CID 90429351
4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde
CID 130941215
3-methyl-5-propyl-1-benzothiophene-2-carbaldehyde
CID 142207600
5-fluoro-6-methoxy-2-methyl-1-benzothiophene
CID 131091519
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
3-methoxy-4,5-dimethyl-1-benzothiophene-2-carbaldehyde
CID 96607938
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde (CID 82374297) is 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde is COc1cc2c(C)c(C=O)sc2cc1F.
What is the InChIKey of 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde?
The InChIKey is LEAPFERQIKZPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2S/c1-6-7-3-9(14-2)8(12)4-10(7)15-11(6)5-13/h3-5H,1-2H3.
What are the key properties of 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde?
6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 82374297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).