5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde

C13H11FO2S — CID 82480842

IUPAC5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)s2)cc1F
InChIInChI=1S/C13H11FO2S/c1-2-16-12-5-3-9(7-11(12)14)13-6-4-10(8-15)17-13/h3-8H,2H2,1H3
InChIKeyGBRZHSUTKFYONS-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.77
Rot. Bonds4

About 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde

5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde (PubChem CID 82480842) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
PubChem CID82480842
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)s2)cc1F
InChIInChI=1S/C13H11FO2S/c1-2-16-12-5-3-9(7-11(12)14)13-6-4-10(8-15)17-13/h3-8H,2H2,1H3
InChIKeyGBRZHSUTKFYONS-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.77
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 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde (CID 82480842) is 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde is CCOc1ccc(-c2ccc(C=O)s2)cc1F.
What is the InChIKey of 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde?
The InChIKey is GBRZHSUTKFYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-2-16-12-5-3-9(7-11(12)14)13-6-4-10(8-15)17-13/h3-8H,2H2,1H3.
What are the key properties of 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde?
5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde has a molecular weight of 250.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82480842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).