1-fluoro-2-[(2-fluorophenyl)disulfanyl]benzene

• ChemBase ID: 294105
• Molecular Formular: C12H8F2S2
• Molecular Mass: 254.3187264
• Monoisotopic Mass: 254.0035487
• SMILES: Fc1ccccc1SSc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1SSc1ccccc1F
• InChI: InChI=1S/C12H8F2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H
• InChIKey: BSLPHWROVJBMHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-[(2-fluorophenyl)disulfanyl]benzene
• IUPAC Traditional name: 1-fluoro-2-[(2-fluorophenyl)disulfanyl]benzene
• Synonyms: 2,2'-Difluorodiphenyldisulfide

Database IDs

• CAS Number: 14135-38-7
• MDL Number: MFCD09029446
• PubChem SID: 180679636
• PubChem CID: 14740277

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.859149
• LogD (pH = 7.4): 4.859149
• Log P: 4.859149
• Molar Refractivity: 62.893 cm^3
• Polarizability: 25.361807 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%