4-fluoro-3-(thiophen-2-yl)benzaldehyde

• ChemBase ID: 261556
• Molecular Formular: C11H7FOS
• Molecular Mass: 206.2360832
• Monoisotopic Mass: 206.02016406
• SMILES: c1(c2sccc2)c(ccc(c1)C=O)F
• Canonical SMILES: O=Cc1ccc(c(c1)c1cccs1)F
• InChI: InChI=1S/C11H7FOS/c12-10-4-3-8(7-13)6-9(10)11-2-1-5-14-11/h1-7H
• InChIKey: BLEFDUIBXHMJPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-(thiophen-2-yl)benzaldehyde
• IUPAC Traditional name: 4-fluoro-3-(thiophen-2-yl)benzaldehyde
• Synonyms: 4-fluoro-3-(thiophen-2-yl)benzaldehyde

Database IDs

• MDL Number: MFCD09042487
• PubChem SID: 164317466
• PubChem CID: 16768874

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: 21.479185 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.53

Product Information

• Purity: 95%