(4-chlorothiophen-2-yl)(4-fluorophenyl)methanone

• ChemBase ID: 113071
• Molecular Formular: C11H6ClFOS
• Molecular Mass: 240.6811432
• Monoisotopic Mass: 239.98119171
• SMILES: c1(cc(cs1)Cl)C(=O)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1scc(c1)Cl
• InChI: InChI=1S/C11H6ClFOS/c12-8-5-10(15-6-8)11(14)7-1-3-9(13)4-2-7/h1-6H
• InChIKey: PQLUHQUMUFDKFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorothiophen-2-yl)(4-fluorophenyl)methanone
• IUPAC Traditional name: (4-chlorothiophen-2-yl)(4-fluorophenyl)methanone
• Synonyms: (4-chlorothiophen-2-yl)(4-fluorophenyl)methanone

Database IDs

• CAS Number: 207852-56-0
• PubChem SID: 162098406
• PubChem CID: 21704890

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.092227
• LogD (pH = 7.4): 4.092227
• Log P: 4.092227
• Molar Refractivity: 58.5446 cm^3
• Polarizability: 22.259636 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: >97%