1-[(E)-2-bromoethenyl]-3,5-difluorobenzene

• ChemBase ID: 801921
• Molecular Formular: C8H5BrF2
• Molecular Mass: 219.0261064
• Monoisotopic Mass: 217.9542686
• SMILES: c1(cc(cc(c1)F)F)/C=C/Br
• Canonical SMILES: Br/C=C/c1cc(F)cc(c1)F
• InChI: InChI=1S/C8H5BrF2/c9-2-1-6-3-7(10)5-8(11)4-6/h1-5H/b2-1+
• InChIKey: VFPTWFJFYDDCQH-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-2-bromoethenyl]-3,5-difluorobenzene
• IUPAC Traditional name: 1-[(E)-2-bromoethenyl]-3,5-difluorobenzene
• Synonyms: 1-[(E)-2-BROMOVINYL]-3,5-DIFLUOROBENZENE

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4772573
• LogD (pH = 7.4): 3.4772573
• Log P: 3.4772573
• Molar Refractivity: 43.7967 cm^3
• Polarizability: 16.138992 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%