(5Z)-5-(fluoromethylidene)-4-phenyl-2,5-dihydro-1H-pyrrol-2-one

• ChemBase ID: 799654
• Molecular Formular: C11H8FNO
• Molecular Mass: 189.1857232
• Monoisotopic Mass: 189.0589921
• SMILES: N1C(=O)C=C(/C/1=C/F)c1ccccc1
• Canonical SMILES: F/C=C/1\NC(=O)C=C1c1ccccc1
• InChI: InChI=1S/C11H8FNO/c12-7-10-9(6-11(14)13-10)8-4-2-1-3-5-8/h1-7H,(H,13,14)/b10-7-
• InChIKey: UMRFVGALJMRYMF-YFHOEESVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-5-(fluoromethylidene)-4-phenyl-2,5-dihydro-1H-pyrrol-2-one
• IUPAC Traditional name: (5Z)-5-(fluoromethylidene)-4-phenyl-1H-pyrrol-2-one
• Synonyms: (Z)-5-(fluoromethylene)-4-phenyl-1H-pyrrol-2(5H)-one

CALCULATED PROPERTIES

• Acid pKa: 10.352681
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1660755
• LogD (pH = 7.4): 1.165652
• Log P: 1.1660808
• Molar Refractivity: 52.5501 cm^3
• Polarizability: 19.295555 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%