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

C11H9FOS — CID 130970968

IUPAC2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
SMILESCCc1sc2ccc(C=O)cc2c1F
InChIInChI=1S/C11H9FOS/c1-2-9-11(12)8-5-7(6-13)3-4-10(8)14-9/h3-6H,2H2,1H3
InChIKeyBNTSCLSSJQIQIT-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.42
Rot. Bonds2

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

2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde (PubChem CID 130970968) has the molecular formula C11H9FOS and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
PubChem CID130970968
Molecular FormulaC11H9FOS
Molecular Weight208.26 g/mol
Exact Mass208.04
IUPAC Name2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
SMILESCCc1sc2ccc(C=O)cc2c1F
InChIInChI=1S/C11H9FOS/c1-2-9-11(12)8-5-7(6-13)3-4-10(8)14-9/h3-6H,2H2,1H3
InChIKeyBNTSCLSSJQIQIT-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

dibenzothiophene-2-carbaldehyde
CID 641360
5-formyl-3-methyl-1-benzothiophene-2-carbonitrile
CID 131138189
2,3-dibutyl-1-benzothiophene-6-carbaldehyde
CID 134965901
3-ethyl-2-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131000569
3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde
CID 130814481
2-(bromomethyl)-3,5-difluoro-1-benzothiophene
CID 131223463
3-fluoro-2-iodo-1-benzothiophene-6-carbaldehyde
CID 131060053
(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130827118
2-(bromomethyl)-3-chloro-1-benzothiophene-6-carbaldehyde
CID 130961260
4-chloro-5-ethyl-1-benzothiophene-2-carbaldehyde
CID 130926385
3-fluoro-4-propylbenzaldehyde
CID 88903432
hexahelicene-2,15-dicarbaldehyde
CID 10667716

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde (CID 130970968) is 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde is CCc1sc2ccc(C=O)cc2c1F.
What is the InChIKey of 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
The InChIKey is BNTSCLSSJQIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FOS/c1-2-9-11(12)8-5-7(6-13)3-4-10(8)14-9/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
2-ethyl-3-fluoro-1-benzothiophene-5-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 2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 130970968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).