5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde

C11H7FO2S — CID 53219351

IUPAC5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(O)c2)s1
InChIInChI=1S/C11H7FO2S/c12-9-3-1-7(5-10(9)14)11-4-2-8(6-13)15-11/h1-6,14H
InChIKeyBSUZIWMEHITVPA-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.07
Rot. Bonds2

About 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde

5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde (PubChem CID 53219351) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde
PubChem CID53219351
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(O)c2)s1
InChIInChI=1S/C11H7FO2S/c12-9-3-1-7(5-10(9)14)11-4-2-8(6-13)15-11/h1-6,14H
InChIKeyBSUZIWMEHITVPA-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 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde (CID 53219351) is 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(F)c(O)c2)s1.
What is the InChIKey of 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde?
The InChIKey is BSUZIWMEHITVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-9-3-1-7(5-10(9)14)11-4-2-8(6-13)15-11/h1-6,14H.
What are the key properties of 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde?
5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde 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 5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 53219351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).