2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethane-1-sulfonyl fluoride

• ChemBase ID: 252155
• Molecular Formular: C7H11FN2O4S
• Molecular Mass: 238.2366432
• Monoisotopic Mass: 238.04235606
• SMILES: N1(C(=O)NC(C1=O)(C)C)CCS(=O)(=O)F
• Canonical SMILES: O=C1NC(C(=O)N1CCS(=O)(=O)F)(C)C
• InChI: InChI=1S/C7H11FN2O4S/c1-7(2)5(11)10(6(12)9-7)3-4-15(8,13)14/h3-4H2,1-2H3,(H,9,12)
• InChIKey: FYKCZPQVZFNDCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethane-1-sulfonyl fluoride
• IUPAC Traditional name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonyl fluoride
• Synonyms: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonyl fluoride

Database IDs

• MDL Number: MFCD08239602
• PubChem SID: 164308065
• PubChem CID: 16227105

CALCULATED PROPERTIES

• Acid pKa: 10.250508
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7269241
• LogD (pH = 7.4): -0.72752184
• Log P: -0.7269165
• Molar Refractivity: 48.773 cm^3
• Polarizability: 19.589622 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.665

Product Information

• Purity: 95%