5-(2,3-difluorophenyl)thiophene-2-carbaldehyde

• ChemBase ID: 811549
• Molecular Formular: C11H6F2OS
• Molecular Mass: 224.2265464
• Monoisotopic Mass: 224.01074225
• SMILES: s1c(ccc1c1c(c(ccc1)F)F)C=O
• Canonical SMILES: O=Cc1ccc(s1)c1cccc(c1F)F
• InChI: InChI=1S/C11H6F2OS/c12-9-3-1-2-8(11(9)13)10-5-4-7(6-14)15-10/h1-6H
• InChIKey: KPTQMPYHGPVJHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,3-difluorophenyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(2,3-difluorophenyl)thiophene-2-carbaldehyde
• Synonyms: 5-(2,3-DIFLUOROPHENYL)THIOPHENE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5279648
• LogD (pH = 7.4): 3.5279648
• Log P: 3.5279648
• Molar Refractivity: 54.885 cm^3
• Polarizability: 21.206673 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%