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

C11H9FOS — CID 131146483

IUPAC4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
SMILESCCc1c(C=O)ccc2scc(F)c12
InChIInChI=1S/C11H9FOS/c1-2-8-7(5-13)3-4-10-11(8)9(12)6-14-10/h3-6H,2H2,1H3
InChIKeyBPCCVDUZIZKKBU-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.42
Rot. Bonds2

About 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde

4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde (PubChem CID 131146483) has the molecular formula C11H9FOS and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
PubChem CID131146483
Molecular FormulaC11H9FOS
Molecular Weight208.26 g/mol
Exact Mass208.04
IUPAC Name4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
SMILESCCc1c(C=O)ccc2scc(F)c12
InChIInChI=1S/C11H9FOS/c1-2-8-7(5-13)3-4-10-11(8)9(12)6-14-10/h3-6H,2H2,1H3
InChIKeyBPCCVDUZIZKKBU-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

4-ethyl-3-fluoro-5-iodo-1-benzothiophene
CID 130816872
4-(chloromethyl)-3-iodo-1-benzothiophene-5-carbaldehyde
CID 130971113
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 131053295
2,3-diethyl-4-hydroxybenzaldehyde
CID 88956337
3-ethyl-7-fluoro-1-benzothiophene-6-carbaldehyde
CID 131218775
3-ethyl-4-fluoro-1-benzothiophen-5-amine
CID 130956296
5-ethyl-4-fluoro-3-iodo-1-benzothiophene
CID 130870716
3-ethyl-5-fluoro-1-benzothiophene-4-carbonitrile
CID 130951900
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
5-ethoxy-3-fluoro-1-benzothiophene-4-thiol
CID 130792743
3-fluoro-4-formyl-1-benzothiophene-6-carbonitrile
CID 131003172
4-iodo-3-methoxy-1-benzothiophene-5-carbaldehyde
CID 131123421

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde (CID 131146483) is 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde is CCc1c(C=O)ccc2scc(F)c12.
What is the InChIKey of 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
The InChIKey is BPCCVDUZIZKKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FOS/c1-2-8-7(5-13)3-4-10-11(8)9(12)6-14-10/h3-6H,2H2,1H3.
What are the key properties of 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde?
4-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 4-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 131146483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).