3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde

C11H9FOS — CID 131014402

IUPAC3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde
SMILESCCc1c(F)sc2c(C=O)cccc12
InChIInChI=1S/C11H9FOS/c1-2-8-9-5-3-4-7(6-13)10(9)14-11(8)12/h3-6H,2H2,1H3
InChIKeyPBRKDCJUIDHIRM-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.42
Rot. Bonds2

About 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde

3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde (PubChem CID 131014402) has the molecular formula C11H9FOS and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde
PubChem CID131014402
Molecular FormulaC11H9FOS
Molecular Weight208.26 g/mol
Exact Mass208.04
IUPAC Name3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde
SMILESCCc1c(F)sc2c(C=O)cccc12
InChIInChI=1S/C11H9FOS/c1-2-8-9-5-3-4-7(6-13)10(9)14-11(8)12/h3-6H,2H2,1H3
InChIKeyPBRKDCJUIDHIRM-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-ethyl-1-benzothiophene-7-carbaldehyde
CID 131214236
3-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131014424
2-methyl-3-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 131196585
2-amino-3-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130955844
3-ethyl-7-methyl-1-benzothiophene-2-carbaldehyde
CID 131124494
3-amino-2-(chloromethyl)-1-benzothiophene-7-carbaldehyde
CID 130855027
3-amino-2-ethylbenzaldehyde
CID 22259616
3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
7-fluoro-3-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 131053614
7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
CID 130803900
2-fluoro-7-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 130854629
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde (CID 131014402) is 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde is CCc1c(F)sc2c(C=O)cccc12.
What is the InChIKey of 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde?
The InChIKey is PBRKDCJUIDHIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FOS/c1-2-8-9-5-3-4-7(6-13)10(9)14-11(8)12/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde?
3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 131014402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).