2,3-dibromo-1,1,1,3-tetrafluorobutane

• ChemBase ID: 98524
• Molecular Formular: C4H4Br2F4
• Molecular Mass: 287.8761728
• Monoisotopic Mass: 285.86158701
• SMILES: FC(C(C(F)(F)F)Br)(Br)C
• Canonical SMILES: BrC(C(Br)(F)C)C(F)(F)F
• InChI: InChI=1S/C4H4Br2F4/c1-3(6,7)2(5)4(8,9)10/h2H,1H3
• InChIKey: PIYSTBVKCZROID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-1,1,1,3-tetrafluorobutane
• IUPAC Traditional name: 2,3-dibromo-1,1,1,3-tetrafluorobutane
• Synonyms: 2,3-Dibromo-1,1,1,3-tetrafluorobutane; 2,3-Dibromo-1H,1H,1H,3H-perfluorobutane 97%

Database IDs

• CAS Number: 933600-85-2
• PubChem SID: 162084940
• PubChem CID: 45075710

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0813098
• LogD (pH = 7.4): 3.0813098
• Log P: 3.0813098
• Molar Refractivity: 36.7334 cm^3
• Polarizability: 14.192163 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant