1-(ethanesulfonyl)-4-fluorobenzene

• ChemBase ID: 258627
• Molecular Formular: C8H9FO2S
• Molecular Mass: 188.2192632
• Monoisotopic Mass: 188.03072875
• SMILES: S(=O)(=O)(c1ccc(cc1)F)CC
• Canonical SMILES: CCS(=O)(=O)c1ccc(cc1)F
• InChI: InChI=1S/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
• InChIKey: PRNNIHPVNFPWAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethanesulfonyl)-4-fluorobenzene
• IUPAC Traditional name: fluoresone
• Synonyms: 1-(ethanesulfonyl)-4-fluorobenzene

Database IDs

• MDL Number: MFCD00865310
• PubChem SID: 164314537
• PubChem CID: 71814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4652535
• LogD (pH = 7.4): 1.4652535
• Log P: 1.4652535
• Molar Refractivity: 44.9436 cm^3
• Polarizability: 17.866652 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.299

Product Information

• Purity: 95%