2-ethenyl-1,4-difluorobenzene

• ChemBase ID: 98887
• Molecular Formular: C8H6F2
• Molecular Mass: 140.1300464
• Monoisotopic Mass: 140.04375663
• SMILES: Fc1c(cc(cc1)F)C=C
• Canonical SMILES: C=Cc1cc(F)ccc1F
• InChI: InChI=1S/C8H6F2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
• InChIKey: DSIWLDCXHHMNQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-1,4-difluorobenzene
• IUPAC Traditional name: 2-ethenyl-1,4-difluorobenzene
• Synonyms: 1,4-Difluoro-2-vinylbenzene; 2,5-Difluorostyrene 99%; 2,5-Difluorostyrene

Database IDs

• CAS Number: 305371-97-5
• MDL Number: MFCD00142841
• PubChem SID: 162085227
• PubChem CID: 21871890

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: 13.19135 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 - PC6275

Stabilised with 4-tert-Butylcatechol