1-[difluoro(2-fluorophenyl)methyl]-2,4-difluorobenzene

• ChemBase ID: 66143
• Molecular Formular: C13H7F5
• Molecular Mass: 258.186696
• Monoisotopic Mass: 258.04679132
• SMILES: c1(c(cc(cc1)F)F)C(c1ccccc1F)(F)F
• Canonical SMILES: Fc1ccc(c(c1)F)C(c1ccccc1F)(F)F
• InChI: InChI=1S/C13H7F5/c14-8-5-6-10(12(16)7-8)13(17,18)9-3-1-2-4-11(9)15/h1-7H
• InChIKey: GONITCXTDWAYCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[difluoro(2-fluorophenyl)methyl]-2,4-difluorobenzene
• IUPAC Traditional name: 1-[difluoro(2-fluorophenyl)methyl]-2,4-difluorobenzene
• Synonyms: 1-(Difluorofluorophenylmethyl)-2,4-difluorobenzene

Database IDs

• MDL Number: MFCD22199289
• PubChem SID: 162031882
• PubChem CID: 71299210

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.74922
• LogD (pH = 7.4): 4.74922
• Log P: 4.74922
• Molar Refractivity: 56.5114 cm^3
• Polarizability: 20.482418 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%