1,2-dibromo-1-chloro-2-fluoropropane

• ChemBase ID: 93683
• Molecular Formular: C3H4Br2ClF
• Molecular Mass: 254.3232632
• Monoisotopic Mass: 251.83523003
• SMILES: BrC(Cl)C(Br)(C)F
• Canonical SMILES: ClC(C(Br)(F)C)Br
• InChI: InChI=1S/C3H4Br2ClF/c1-3(5,7)2(4)6/h2H,1H3
• InChIKey: WBKNWEJIMRYZJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1-chloro-2-fluoropropane
• IUPAC Traditional name: 1,2-dibromo-1-chloro-2-fluoropropane
• Synonyms: 1-Chloro-1,2-dibromo-2-fluoropropane

Database IDs

• MDL Number: MFCD07784196
• PubChem SID: 162080368
• PubChem CID: 44717194

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2884858
• LogD (pH = 7.4): 2.2884858
• Log P: 2.2884858
• Molar Refractivity: 36.5003 cm^3
• Polarizability: 14.23956 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant