3-(2,4-difluorophenyl)thiophene-2-carbaldehyde

C11H6F2OS — CID 88753692

IUPAC3-(2,4-difluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccc(F)cc1F
InChIInChI=1S/C11H6F2OS/c12-7-1-2-8(10(13)5-7)9-3-4-15-11(9)6-14/h1-6H
InChIKeyJDSRAXGPLMWULK-UHFFFAOYSA-N
MW224.23 g/mol
LogP3.51
Rot. Bonds2

About 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde

3-(2,4-difluorophenyl)thiophene-2-carbaldehyde (PubChem CID 88753692) has the molecular formula C11H6F2OS and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)thiophene-2-carbaldehyde
PubChem CID88753692
Molecular FormulaC11H6F2OS
Molecular Weight224.23 g/mol
Exact Mass224.01
IUPAC Name3-(2,4-difluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccc(F)cc1F
InChIInChI=1S/C11H6F2OS/c12-7-1-2-8(10(13)5-7)9-3-4-15-11(9)6-14/h1-6H
InChIKeyJDSRAXGPLMWULK-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde (CID 88753692) is 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde is O=Cc1sccc1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde?
The InChIKey is JDSRAXGPLMWULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2OS/c12-7-1-2-8(10(13)5-7)9-3-4-15-11(9)6-14/h1-6H.
What are the key properties of 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde?
3-(2,4-difluorophenyl)thiophene-2-carbaldehyde has a molecular weight of 224.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 88753692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).