2,3-dibromo-3,3-difluoroprop-1-ene

• ChemBase ID: 94725
• Molecular Formular: C3H2Br2F2
• Molecular Mass: 235.8527864
• Monoisotopic Mass: 233.8491305
• SMILES: FC(F)(Br)C(=C)Br
• Canonical SMILES: BrC(=C)C(Br)(F)F
• InChI: InChI=1S/C3H2Br2F2/c1-2(4)3(5,6)7/h1H2
• InChIKey: XWOGOZVYKBOSPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-3,3-difluoroprop-1-ene
• IUPAC Traditional name: 2,3-dibromo-3,3-difluoroprop-1-ene
• Synonyms: 2,3-Dibromo-3,3-difluoroprop-1-ene 99.5%

Database IDs

• CAS Number: 677-35-0
• MDL Number: MFCD00077497
• PubChem SID: 162081379
• PubChem CID: 2736763

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6164014
• LogD (pH = 7.4): 2.6164014
• Log P: 2.6164014
• Molar Refractivity: 31.7593 cm^3
• Polarizability: 12.093652 Å^3

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: Irritant