1,1-dibromo-2-fluoroethene

• ChemBase ID: 97323
• Molecular Formular: C2HBr2F
• Molecular Mass: 203.8357432
• Monoisotopic Mass: 201.84290225
• SMILES: BrC(=CF)Br
• Canonical SMILES: FC=C(Br)Br
• InChI: InChI=1S/C2HBr2F/c3-2(4)1-5/h1H
• InChIKey: ODGLWGRDIBCXGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2-fluoroethene
• IUPAC Traditional name: 1,1-dibromo-2-fluoroethene
• Synonyms: 1,1-Dibromo-2-fluoroethylene 97%

Database IDs

• CAS Number: 358-96-3
• MDL Number: MFCD02913515
• PubChem SID: 162083933
• PubChem CID: 15721050

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0170977
• LogD (pH = 7.4): 2.0170977
• Log P: 2.0170977
• Molar Refractivity: 35.7864 cm^3
• Polarizability: 10.319291 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90-91°C
• Refractive Index: 1.494

Safety Information

• Storage Warning: Irritant