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

C11H7FO2S — CID 59599824

IUPAC3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde
SMILESO=Cc1cc(-c2ccsc2)cc(F)c1O
InChIInChI=1S/C11H7FO2S/c12-10-4-8(7-1-2-15-6-7)3-9(5-13)11(10)14/h1-6,14H
InChIKeyBZFZVODKRRACFK-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.07
Rot. Bonds2

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

3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde (PubChem CID 59599824) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde
PubChem CID59599824
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde
SMILESO=Cc1cc(-c2ccsc2)cc(F)c1O
InChIInChI=1S/C11H7FO2S/c12-10-4-8(7-1-2-15-6-7)3-9(5-13)11(10)14/h1-6,14H
InChIKeyBZFZVODKRRACFK-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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Related Compounds

Prifelone
CID 71751
[5-(4-Hydroxy-3,5-dimethylphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652933
2-Hydroxy-5-(2-thienyl)benzaldehyde
CID 828499
(4-Hydroxy-3,5-dimethyl-phenyl)-thiophen-2-yl-methanone
CID 14771930
5W-0275
CID 5355846
2-Hydroxy-5-(3-thienyl)benzoic acid
CID 4128464
3-(4-Hydroxy-3,5-dimethyl-phenyl)-1-thiophen-2-yl-propenone
CID 14771932
1-(4-Hydroxy-3,5-dimethyl-phenyl)-3-thiophen-2-yl-propenone
CID 14771933
5-(5-Formyl-2-thienyl)-2-hydroxybenzoic acid
CID 20100244
2-Hydroxy-5-(3-thienyl)benzaldehyde
CID 20099803
3-Fluoro-2-hydroxy-5-(2-thienyl)benzaldehyde
CID 59599721
5-Benzo[b]thien-3-yl-3-fluoro-2-hydroxybenzaldehyde
CID 59599752

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde (CID 59599824) is 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde is O=Cc1cc(-c2ccsc2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde?
The InChIKey is BZFZVODKRRACFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-10-4-8(7-1-2-15-6-7)3-9(5-13)11(10)14/h1-6,14H.
What are the key properties of 3-fluoro-2-hydroxy-5-thiophen-3-ylbenzaldehyde?
3-fluoro-2-hydroxy-5-thiophen-3-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-3-ylbenzaldehyde is sourced from PubChem (CID 59599824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).