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

C12H9FOS — CID 43153934

IUPAC5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)s2)cc1F
InChIInChI=1S/C12H9FOS/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-7H,1H3
InChIKeyVOHHNHUMTRETFK-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.68
Rot. Bonds2

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

5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde (PubChem CID 43153934) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
PubChem CID43153934
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)s2)cc1F
InChIInChI=1S/C12H9FOS/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-7H,1H3
InChIKeyVOHHNHUMTRETFK-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
CID 43363606
5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 103586904
5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde
CID 53219351
5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
CID 82480842
5-(3-fluorophenyl)thiophene-2-carbaldehyde
CID 3578053
5-(5-fluoro-2-methylphenyl)thiophene-2-carbaldehyde
CID 43153940
5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
CID 82478736
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
5-(4-bromo-3-methoxyphenyl)thiophene-2-carbaldehyde
CID 107622632
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde (CID 43153934) is 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde is Cc1ccc(-c2ccc(C=O)s2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde?
The InChIKey is VOHHNHUMTRETFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c1-8-2-3-9(6-11(8)13)12-5-4-10(7-14)15-12/h2-7H,1H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde?
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 43153934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).