2-(2-bromoethyl)-1,1-difluorocyclopropane

• ChemBase ID: 309204
• Molecular Formular: C5H7BrF2
• Molecular Mass: 185.0098864
• Monoisotopic Mass: 183.96991866
• SMILES: C1(CC1CCBr)(F)F
• Canonical SMILES: BrCCC1CC1(F)F
• InChI: InChI=1S/C5H7BrF2/c6-2-1-4-3-5(4,7)8/h4H,1-3H2
• InChIKey: GPGGLHYJEHBQQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)-1,1-difluorocyclopropane
• IUPAC Traditional name: 2-(2-bromoethyl)-1,1-difluorocyclopropane
• Synonyms: 2-(2-bromoethyl)-1,1-difluorocyclopropane

Database IDs

• CAS Number: 1260664-73-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.847863
• LogD (pH = 7.4): 1.847863
• Log P: 1.847863
• Molar Refractivity: 31.3794 cm^3
• Polarizability: 11.870925 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%