6-(5-fluoropentyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

• ChemBase ID: 432787
• Molecular Formular: C13H15FN2O2
• Molecular Mass: 250.2688032
• Monoisotopic Mass: 250.11175595
• SMILES: [nH]1c(=O)c(=O)[nH]c2c1cc(cc2)CCCCCF
• Canonical SMILES: FCCCCCc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
• InChI: InChI=1S/C13H15FN2O2/c14-7-3-1-2-4-9-5-6-10-11(8-9)16-13(18)12(17)15-10/h5-6,8H,1-4,7H2,(H,15,17)(H,16,18)
• InChIKey: VQMONMAMNQKHNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(5-fluoropentyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione
• IUPAC Traditional name: 6-(5-fluoropentyl)-1,4-dihydroquinoxaline-2,3-dione
• Synonyms: 6-(5-fluoropentyl)-1,4-dihydroquinoxaline-2,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.271844
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3777087
• LogD (pH = 7.4): 2.3771617
• Log P: 2.3777156
• Molar Refractivity: 68.617 cm^3
• Polarizability: 24.551174 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.01
• LOG S: -2.74
• Polar Surface Area: 65.72 Å^2
• Rotatable Bonds: 5