1,1,2-tribromo-1-fluoroethane

• ChemBase ID: 98525
• Molecular Formular: C2H2Br3F
• Molecular Mass: 284.7476832
• Monoisotopic Mass: 281.76906428
• SMILES: FC(Br)(Br)CBr
• Canonical SMILES: BrCC(Br)(Br)F
• InChI: InChI=1S/C2H2Br3F/c3-1-2(4,5)6/h1H2
• InChIKey: WGBLBSMTZHIANX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-tribromo-1-fluoroethane
• IUPAC Traditional name: 1,1,2-tribromo-1-fluoroethane
• Synonyms: 1-Fluoro-1,1,2-tribromoethane

Database IDs

• CAS Number: 420-88-2
• MDL Number: MFCD08460473
• PubChem SID: 162084941
• PubChem CID: 20141252

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.690725
• LogD (pH = 7.4): 2.690725
• Log P: 2.690725
• Molar Refractivity: 35.0325 cm^3
• Polarizability: 13.823417 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 162.7°C
• Density: 2.6054
• Refractive Index: 1.5021

Safety Information

• Storage Warning: Irritant