4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde

C13H9FO2S — CID 82383538

IUPAC4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H9FO2S/c1-8-12(6-11(7-15)17-8)13(16)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyRESUBMYTSFJWMI-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.24
Rot. Bonds3

About 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde

4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde (PubChem CID 82383538) has the molecular formula C13H9FO2S and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde
PubChem CID82383538
Molecular FormulaC13H9FO2S
Molecular Weight248.28 g/mol
Exact Mass248.03
IUPAC Name4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H9FO2S/c1-8-12(6-11(7-15)17-8)13(16)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyRESUBMYTSFJWMI-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde?
The IUPAC name of 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde (CID 82383538) is 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde?
The canonical SMILES for 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde is Cc1sc(C=O)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde?
The InChIKey is RESUBMYTSFJWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2S/c1-8-12(6-11(7-15)17-8)13(16)9-2-4-10(14)5-3-9/h2-7H,1H3.
What are the key properties of 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde?
4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde has a molecular weight of 248.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-5-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 82383538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).