2-(5-fluorothiophen-2-yl)acetaldehyde

C6H5FOS — CID 84762833

IUPAC2-(5-fluorothiophen-2-yl)acetaldehyde
SMILESO=CCc1ccc(F)s1
InChIInChI=1S/C6H5FOS/c7-6-2-1-5(9-6)3-4-8/h1-2,4H,3H2
InChIKeyCVTZAQAVXSYKHA-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.63
Rot. Bonds2

About 2-(5-fluorothiophen-2-yl)acetaldehyde

2-(5-fluorothiophen-2-yl)acetaldehyde (PubChem CID 84762833) has the molecular formula C6H5FOS and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(5-fluorothiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-fluorothiophen-2-yl)acetaldehyde
PubChem CID84762833
Molecular FormulaC6H5FOS
Molecular Weight144.17 g/mol
Exact Mass144.00
IUPAC Name2-(5-fluorothiophen-2-yl)acetaldehyde
SMILESO=CCc1ccc(F)s1
InChIInChI=1S/C6H5FOS/c7-6-2-1-5(9-6)3-4-8/h1-2,4H,3H2
InChIKeyCVTZAQAVXSYKHA-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-fluorothiophen-2-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorothiophen-2-yl)acetaldehyde?
The IUPAC name of 2-(5-fluorothiophen-2-yl)acetaldehyde (CID 84762833) is 2-(5-fluorothiophen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-fluorothiophen-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-fluorothiophen-2-yl)acetaldehyde is O=CCc1ccc(F)s1.
What is the InChIKey of 2-(5-fluorothiophen-2-yl)acetaldehyde?
The InChIKey is CVTZAQAVXSYKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FOS/c7-6-2-1-5(9-6)3-4-8/h1-2,4H,3H2.
What are the key properties of 2-(5-fluorothiophen-2-yl)acetaldehyde?
2-(5-fluorothiophen-2-yl)acetaldehyde has a molecular weight of 144.17 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorothiophen-2-yl)acetaldehyde is sourced from PubChem (CID 84762833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).