(5Z)-5-(fluoromethylidene)-4-phenyl-2,5-dihydrofuran-2-one

• ChemBase ID: 799653
• Molecular Formular: C11H7FO2
• Molecular Mass: 190.1704832
• Monoisotopic Mass: 190.04300768
• SMILES: O1C(=O)C=C(/C/1=C/F)c1ccccc1
• Canonical SMILES: F/C=C/1\OC(=O)C=C1c1ccccc1
• InChI: InChI=1S/C11H7FO2/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-7H/b10-7-
• InChIKey: UKQPPCCVRQVXCW-YFHOEESVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-5-(fluoromethylidene)-4-phenyl-2,5-dihydrofuran-2-one
• IUPAC Traditional name: (5Z)-5-(fluoromethylidene)-4-phenylfuran-2-one
• Synonyms: (Z)-5-(fluoromethylene)-4-phenylfuran-2(5H)-one

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1285748
• LogD (pH = 7.4): 2.1285748
• Log P: 2.1285748
• Molar Refractivity: 50.6003 cm^3
• Polarizability: 18.864082 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%