1-bromo-2,3-difluoro-2-(fluoromethyl)propane

• ChemBase ID: 94847
• Molecular Formular: C4H6BrF3
• Molecular Mass: 190.9896496
• Monoisotopic Mass: 189.96049685
• SMILES: FCC(F)(CF)CBr
• Canonical SMILES: FCC(CBr)(CF)F
• InChI: InChI=1S/C4H6BrF3/c5-1-4(8,2-6)3-7/h1-3H2
• InChIKey: UQYDVXXGNHWODN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,3-difluoro-2-(fluoromethyl)propane
• IUPAC Traditional name: 1-bromo-2,3-difluoro-2-(fluoromethyl)propane
• Synonyms: 2-(Bromomethyl)-1,2,3-trifluoropropane 98%

Database IDs

• MDL Number: MFCD04972696
• PubChem SID: 162081501
• PubChem CID: 44717346

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6080151
• LogD (pH = 7.4): 1.6080151
• Log P: 1.6080151
• Molar Refractivity: 27.6562 cm^3
• Polarizability: 10.824707 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant