1-bromo-2-fluoro-2-methylpropane

• ChemBase ID: 162898
• Molecular Formular: C4H8BrF
• Molecular Mass: 155.0087232
• Monoisotopic Mass: 153.97934048
• SMILES: FC(CBr)(C)C
• Canonical SMILES: BrCC(F)(C)C
• InChI: InChI=1S/C4H8BrF/c1-4(2,6)3-5/h3H2,1-2H3
• InChIKey: LJNXHUCQQXLSHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-fluoro-2-methylpropane
• IUPAC Traditional name: 1-bromo-2-fluoro-2-methylpropane
• Synonyms: 1-Bromo-2-fluoro-2-methylpropane

Database IDs

• CAS Number: 19869-78-4
• PubChem SID: 162257033
• PubChem CID: 140621

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9196515
• LogD (pH = 7.4): 1.9196515
• Log P: 1.9196515
• Molar Refractivity: 27.953 cm^3
• Polarizability: 10.783068 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B684395

A bromofluoroalkyl compound used in the preparation for fluoromethyl amino acids.