1,4-dibromo-1,1,3-trifluorobut-2-ene

• ChemBase ID: 100839
• Molecular Formular: C4H3Br2F3
• Molecular Mass: 267.8698296
• Monoisotopic Mass: 265.85535876
• SMILES: FC(F)(Br)/C=C(/CBr)\F
• Canonical SMILES: BrC/C(=C/C(Br)(F)F)/F
• InChI: InChI=1S/C4H3Br2F3/c5-2-3(7)1-4(6,8)9/h1H,2H2
• InChIKey: LCTKXPQKSGIAQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-1,1,3-trifluorobut-2-ene
• IUPAC Traditional name: 1,4-dibromo-1,1,3-trifluorobut-2-ene
• Synonyms: 1,4-Dibromo-1,1,3-trifluorobut-2-ene

Database IDs

• MDL Number: MFCD09258946
• PubChem SID: 162087541
• PubChem CID: 44717740

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6363018
• LogD (pH = 7.4): 2.6363018
• Log P: 2.6363018
• Molar Refractivity: 37.8356 cm^3
• Polarizability: 13.846469 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable