5-(2,4-difluorophenyl)thiophene-2-carbaldehyde

• ChemBase ID: 811551
• Molecular Formular: C11H6F2OS
• Molecular Mass: 224.2265464
• Monoisotopic Mass: 224.01074225
• SMILES: s1c(ccc1c1c(cc(cc1)F)F)C=O
• Canonical SMILES: O=Cc1ccc(s1)c1ccc(cc1F)F
• InChI: InChI=1S/C11H6F2OS/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-6H
• InChIKey: RRQFTJHKFUDHJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,4-difluorophenyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(2,4-difluorophenyl)thiophene-2-carbaldehyde
• Synonyms: 5-(2,4-DIFLUOROPHENYL)THIOPHENE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• LogD (pH = 5.5): 3.5279648
• LogD (pH = 7.4): 3.5279648
• Log P: 3.5279648
• Molar Refractivity: 54.885 cm^3
• Polarizability: 21.2059 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Product Information

• Purity: 98%