3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde

C11H7FO2S — CID 59599721

IUPAC3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccs2)cc(F)c1O
InChIInChI=1S/C11H7FO2S/c12-9-5-7(10-2-1-3-15-10)4-8(6-13)11(9)14/h1-6,14H
InChIKeyZODKJLYQIFWFAO-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.07
Rot. Bonds2

About 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde

3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde (PubChem CID 59599721) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde
PubChem CID59599721
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2cccs2)cc(F)c1O
InChIInChI=1S/C11H7FO2S/c12-9-5-7(10-2-1-3-15-10)4-8(6-13)11(9)14/h1-6,14H
InChIKeyZODKJLYQIFWFAO-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
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 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde (CID 59599721) is 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde is O=Cc1cc(-c2cccs2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde?
The InChIKey is ZODKJLYQIFWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-9-5-7(10-2-1-3-15-10)4-8(6-13)11(9)14/h1-6,14H.
What are the key properties of 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde?
3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde has a molecular weight of 222.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 59599721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).