1-bromo-2-fluoroethene

• ChemBase ID: 99177
• Molecular Formular: C2H2BrF
• Molecular Mass: 124.9396832
• Monoisotopic Mass: 123.93239028
• SMILES: Br/C=C/F
• Canonical SMILES: F/C=C/Br
• InChI: InChI=1S/C2H2BrF/c3-1-2-4/h1-2H
• InChIKey: JNODEIRSLUOUMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-fluoroethene
• IUPAC Traditional name: 1-bromo-2-fluoroethene
• Synonyms: (Z)-1-Bromo-2-fluoroethylene

Database IDs

• CAS Number: 2366-31-6
• PubChem SID: 162085468
• PubChem CID: 5709597

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4445692
• LogD (pH = 7.4): 1.4445692
• Log P: 1.4445692
• Molar Refractivity: 17.8086 cm^3
• Polarizability: 7.0661087 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant