2-fluoro-4-(thiophen-2-yl)benzaldehyde

• ChemBase ID: 261558
• Molecular Formular: C11H7FOS
• Molecular Mass: 206.2360832
• Monoisotopic Mass: 206.02016406
• SMILES: c1(c2cc(c(cc2)C=O)F)sccc1
• Canonical SMILES: O=Cc1ccc(cc1F)c1cccs1
• InChI: InChI=1S/C11H7FOS/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-7H
• InChIKey: ZKCVFPQLILCRNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-(thiophen-2-yl)benzaldehyde
• IUPAC Traditional name: 2-fluoro-4-(thiophen-2-yl)benzaldehyde
• Synonyms: 2-fluoro-4-(thiophen-2-yl)benzaldehyde

Database IDs

• MDL Number: MFCD08701437
• PubChem SID: 164317468
• PubChem CID: 16768608

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2528236
• LogD (pH = 7.4): 3.2528236
• Log P: 3.2528236
• Molar Refractivity: 54.8845 cm^3
• Polarizability: 21.475206 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 3.53

Product Information

• Purity: 95%