1-(dibromomethyl)-2,3,4,5,6-pentafluorobenzene

• ChemBase ID: 93818
• Molecular Formular: C7HBr2F5
• Molecular Mass: 339.882856
• Monoisotopic Mass: 337.83651513
• SMILES: Fc1c(c(c(c(c1F)F)F)F)C(Br)Br
• Canonical SMILES: Fc1c(F)c(C(Br)Br)c(c(c1F)F)F
• InChI: InChI=1S/C7HBr2F5/c8-7(9)1-2(10)4(12)6(14)5(13)3(1)11/h7H
• InChIKey: SCGYCYOVWSMRBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dibromomethyl)-2,3,4,5,6-pentafluorobenzene
• IUPAC Traditional name: 1-(dibromomethyl)-2,3,4,5,6-pentafluorobenzene
• Synonyms: Dibromomethylpentafluorobenzene

Database IDs

• MDL Number: MFCD07368710
• PubChem SID: 162080483
• PubChem CID: 2783332

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.54594
• LogD (pH = 7.4): 3.54594
• Log P: 3.54594
• Molar Refractivity: 47.6942 cm^3
• Polarizability: 17.758863 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant