3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde

C11H9FOS — CID 130814481

IUPAC3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde
SMILESCCc1c(C=O)sc2ccc(F)cc12
InChIInChI=1S/C11H9FOS/c1-2-8-9-5-7(12)3-4-10(9)14-11(8)6-13/h3-6H,2H2,1H3
InChIKeyBSUFLWXVJKGVPL-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.42
Rot. Bonds2

About 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde

3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde (PubChem CID 130814481) has the molecular formula C11H9FOS and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde
PubChem CID130814481
Molecular FormulaC11H9FOS
Molecular Weight208.26 g/mol
Exact Mass208.04
IUPAC Name3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde
SMILESCCc1c(C=O)sc2ccc(F)cc12
InChIInChI=1S/C11H9FOS/c1-2-8-9-5-7(12)3-4-10(9)14-11(8)6-13/h3-6H,2H2,1H3
InChIKeyBSUFLWXVJKGVPL-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

3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
3-ethyl-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131078285
4-ethyl-5-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131014670
3-ethylthieno[2,3-c]pyridine-2-carbaldehyde
CID 82374277
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
CID 83909343
3-ethyl-7-methyl-1-benzothiophene-2-carbaldehyde
CID 131124494
2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
CID 130970968
3-ethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374274
3-methyl-5-propyl-1-benzothiophene-2-carbaldehyde
CID 142207600
6-ethyl-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 130901424
3,4-diethylthiophene-2-carbaldehyde
CID 139961983
2-(bromomethyl)-3,5-difluoro-1-benzothiophene
CID 131223463

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde (CID 130814481) is 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde is CCc1c(C=O)sc2ccc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde?
The InChIKey is BSUFLWXVJKGVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FOS/c1-2-8-9-5-7(12)3-4-10(9)14-11(8)6-13/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde?
3-ethyl-5-fluoro-1-benzothiophene-2-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-5-fluoro-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 130814481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).