4-bromo-1,1,2,2-tetrafluorobutane

• ChemBase ID: 309494
• Molecular Formular: C4H5BrF4
• Molecular Mass: 208.9801128
• Monoisotopic Mass: 207.95107504
• SMILES: C(C(F)F)(CCBr)(F)F
• Canonical SMILES: BrCCC(C(F)F)(F)F
• InChI: InChI=1S/C4H5BrF4/c5-2-1-4(8,9)3(6)7/h3H,1-2H2
• InChIKey: FBWAAGBNRJEZIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1,1,2,2-tetrafluorobutane
• IUPAC Traditional name: 4-bromo-1,1,2,2-tetrafluorobutane
• Synonyms: 4-bromo-1,1,2,2-tetrafluorobutane

Database IDs

• CAS Number: 234443-20-0
• MDL Number: MFCD00153082

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4587917
• LogD (pH = 7.4): 2.4587917
• Log P: 2.4587917
• Molar Refractivity: 27.976 cm^3
• Polarizability: 10.915248 Å^3
• Polar Surface Area: 0.0 Å^2