4-fluoro-5-methylthiophene-2-carbaldehyde

C6H5FOS — CID 82417818

IUPAC4-fluoro-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1F
InChIInChI=1S/C6H5FOS/c1-4-6(7)2-5(3-8)9-4/h2-3H,1H3
InChIKeyCSJNEJKHXAHZDD-UHFFFAOYSA-N
MW144.17 g/mol
LogP2.01
Rot. Bonds1

About 4-fluoro-5-methylthiophene-2-carbaldehyde

4-fluoro-5-methylthiophene-2-carbaldehyde (PubChem CID 82417818) has the molecular formula C6H5FOS and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-fluoro-5-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-5-methylthiophene-2-carbaldehyde
PubChem CID82417818
Molecular FormulaC6H5FOS
Molecular Weight144.17 g/mol
Exact Mass144.00
IUPAC Name4-fluoro-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1F
InChIInChI=1S/C6H5FOS/c1-4-6(7)2-5(3-8)9-4/h2-3H,1H3
InChIKeyCSJNEJKHXAHZDD-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.01
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 4-fluoro-5-methylthiophene-2-carbaldehyde?
The IUPAC name of 4-fluoro-5-methylthiophene-2-carbaldehyde (CID 82417818) is 4-fluoro-5-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-fluoro-5-methylthiophene-2-carbaldehyde?
The canonical SMILES for 4-fluoro-5-methylthiophene-2-carbaldehyde is Cc1sc(C=O)cc1F.
What is the InChIKey of 4-fluoro-5-methylthiophene-2-carbaldehyde?
The InChIKey is CSJNEJKHXAHZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FOS/c1-4-6(7)2-5(3-8)9-4/h2-3H,1H3.
What are the key properties of 4-fluoro-5-methylthiophene-2-carbaldehyde?
4-fluoro-5-methylthiophene-2-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 82417818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).