3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde

C12H8F2OS — CID 131497573

IUPAC3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde
SMILESO=Cc1sccc1Cc1ccc(F)cc1F
InChIInChI=1S/C12H8F2OS/c13-10-2-1-8(11(14)6-10)5-9-3-4-16-12(9)7-15/h1-4,6-7H,5H2
InChIKeyHIJBHKFRXLCNBY-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.43
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde

3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde (PubChem CID 131497573) has the molecular formula C12H8F2OS and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde
PubChem CID131497573
Molecular FormulaC12H8F2OS
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde
SMILESO=Cc1sccc1Cc1ccc(F)cc1F
InChIInChI=1S/C12H8F2OS/c13-10-2-1-8(11(14)6-10)5-9-3-4-16-12(9)7-15/h1-4,6-7H,5H2
InChIKeyHIJBHKFRXLCNBY-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2,4-difluorophenyl)methyl]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

[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 64559869
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055204
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
1-(3-bromothiophen-2-yl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 62221890
N-[3-[(2,4-difluorophenyl)methyl]-1,2-thiazol-5-yl]-N-sulfanylformamide
CID 174874736
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
N-[(2,4-difluorophenyl)methyl]-N-methylformamide
CID 64990427
CID 58696093
CID 58696093
2,4-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]benzene
CID 69132615
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde (CID 131497573) is 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde is O=Cc1sccc1Cc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde?
The InChIKey is HIJBHKFRXLCNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2OS/c13-10-2-1-8(11(14)6-10)5-9-3-4-16-12(9)7-15/h1-4,6-7H,5H2.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde?
3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde has a molecular weight of 238.26 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 131497573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).