1,3,4-tribromo-1,1,2,2-tetrafluorobutane

• ChemBase ID: 99328
• Molecular Formular: C4H3Br3F4
• Molecular Mass: 366.7722328
• Monoisotopic Mass: 363.77209898
• SMILES: FC(F)(Br)C(F)(F)C(CBr)Br
• Canonical SMILES: BrCC(C(C(Br)(F)F)(F)F)Br
• InChI: InChI=1S/C4H3Br3F4/c5-1-2(6)3(8,9)4(7,10)11/h2H,1H2
• InChIKey: CUYGTVOLVMBWLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,4-tribromo-1,1,2,2-tetrafluorobutane
• IUPAC Traditional name: 1,3,4-tribromo-1,1,2,2-tetrafluorobutane
• Synonyms: 1,1,2,2-Tetrafluoro-1,3,4-tribromobutane; 1,3,4-Tribromo-1,1,2,2-tetrafluorobutane 97%

Database IDs

• MDL Number: MFCD00077593
• PubChem SID: 162085601
• PubChem CID: 2776852

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9440606
• LogD (pH = 7.4): 3.9440606
• Log P: 3.9440606
• Molar Refractivity: 44.0542 cm^3
• Polarizability: 17.457241 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64°C/10mm

Safety Information

• Storage Warning: Irritant