1-(ethenesulfonyl)-4-fluorobenzene

• ChemBase ID: 242187
• Molecular Formular: C8H7FO2S
• Molecular Mass: 186.2033832
• Monoisotopic Mass: 186.01507868
• SMILES: S(=O)(=O)(c1ccc(cc1)F)C=C
• Canonical SMILES: C=CS(=O)(=O)c1ccc(cc1)F
• InChI: InChI=1S/C8H7FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2
• InChIKey: YJOADGKOUSZGCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00540721
• PubChem SID: 164298097
• PubChem CID: 23466542

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6886041
• LogD (pH = 7.4): 1.6886041
• Log P: 1.6886041
• Molar Refractivity: 43.8146 cm^3
• Polarizability: 17.617285 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.015

Product Information

• Purity: 95%