2,3-dibromo-1,1,1,2-tetrafluoropropane

• ChemBase ID: 98522
• Molecular Formular: C3H2Br2F4
• Molecular Mass: 273.8495928
• Monoisotopic Mass: 271.84593694
• SMILES: FC(C(Br)(F)CBr)(F)F
• Canonical SMILES: BrCC(C(F)(F)F)(Br)F
• InChI: InChI=1S/C3H2Br2F4/c4-1-2(5,6)3(7,8)9/h1H2
• InChIKey: HTJGTNQHWCNXJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 421-92-1
• MDL Number: MFCD08460468
• PubChem SID: 162084939
• PubChem CID: 45075707

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9726813
• LogD (pH = 7.4): 2.9726813
• Log P: 2.9726813
• Molar Refractivity: 32.149 cm^3
• Polarizability: 12.54966 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant