[4-(ethanesulfonyl)-2-fluorophenyl]hydrazine

• ChemBase ID: 22208
• Molecular Formular: C8H11FN2O2S
• Molecular Mass: 218.2485432
• Monoisotopic Mass: 218.05252682
• SMILES: c1c(ccc(c1F)NN)S(=O)(=O)CC
• Canonical SMILES: NNc1ccc(cc1F)S(=O)(=O)CC
• InChI: InChI=1S/C8H11FN2O2S/c1-2-14(12,13)6-3-4-8(11-10)7(9)5-6/h3-5,11H,2,10H2,1H3
• InChIKey: IBZITQDDEGYTAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(ethanesulfonyl)-2-fluorophenyl]hydrazine
• IUPAC Traditional name: [4-(ethanesulfonyl)-2-fluorophenyl]hydrazine
• Synonyms: 4-Ethylsulfonyl-2-fluorophenylhydrazine

Database IDs

• MDL Number: MFCD09038324
• PubChem SID: 160985515
• PubChem CID: 26597588

CALCULATED PROPERTIES

• Acid pKa: 14.273408
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.83050287
• LogD (pH = 7.4): 0.85612357
• Log P: 0.8568961
• Molar Refractivity: 54.6503 cm^3
• Polarizability: 20.46546 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false