1-ethenyl-3,5-difluorobenzene

• ChemBase ID: 98889
• Molecular Formular: C8H6F2
• Molecular Mass: 140.1300464
• Monoisotopic Mass: 140.04375663
• SMILES: Fc1cc(cc(c1)C=C)F
• Canonical SMILES: C=Cc1cc(F)cc(c1)F
• InChI: InChI=1S/C8H6F2/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2
• InChIKey: GLJPFZKCYYDBIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-3,5-difluorobenzene
• IUPAC Traditional name: 1-ethenyl-3,5-difluorobenzene
• Synonyms: 1,3-Difluoro-5-vinylbenzene; 1,3-Difluoro-5-ethenylbenzene; 3,5-Difluorostyrene 99%

Database IDs

• CAS Number: 182132-57-6
• MDL Number: MFCD08461660
• PubChem SID: 162085229
• PubChem CID: 18784707

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9953518
• LogD (pH = 7.4): 2.9953518
• Log P: 2.9953518
• Molar Refractivity: 36.1771 cm^3
• Polarizability: 13.189205 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold

DETAILS

Apollo Scientific Ltd - PC6277

Stabilised with tert-butylcatechol