5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde

C12H8F2OS — CID 103586904

IUPAC5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1cc(F)c(-c2ccc(C=O)s2)cc1F
InChIInChI=1S/C12H8F2OS/c1-7-4-11(14)9(5-10(7)13)12-3-2-8(6-15)16-12/h2-6H,1H3
InChIKeyUKUSDKKGLKVVEW-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.81
Rot. Bonds2

About 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde

5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde (PubChem CID 103586904) has the molecular formula C12H8F2OS and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
PubChem CID103586904
Molecular FormulaC12H8F2OS
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1cc(F)c(-c2ccc(C=O)s2)cc1F
InChIInChI=1S/C12H8F2OS/c1-7-4-11(14)9(5-10(7)13)12-3-2-8(6-15)16-12/h2-6H,1H3
InChIKeyUKUSDKKGLKVVEW-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-fluoro-2-methylphenyl)thiophene-2-carbaldehyde
CID 43153940
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
CID 82478736
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine
CID 103586918
5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
CID 82480842
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
CID 43363606
5-(4-fluoro-3-hydroxyphenyl)thiophene-2-carbaldehyde
CID 53219351
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 103586914
5-(3-fluorophenyl)thiophene-2-carbaldehyde
CID 3578053

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde (CID 103586904) is 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde is Cc1cc(F)c(-c2ccc(C=O)s2)cc1F.
What is the InChIKey of 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde?
The InChIKey is UKUSDKKGLKVVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2OS/c1-7-4-11(14)9(5-10(7)13)12-3-2-8(6-15)16-12/h2-6H,1H3.
What are the key properties of 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde?
5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde has a molecular weight of 238.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 103586904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).