1-bromo-2-(bromomethyl)-6-fluoronaphthalene

• ChemBase ID: 96191
• Molecular Formular: C11H7Br2F
• Molecular Mass: 317.9796832
• Monoisotopic Mass: 315.88985244
• SMILES: Brc1c(ccc2cc(ccc12)F)CBr
• Canonical SMILES: BrCc1ccc2c(c1Br)ccc(c2)F
• InChI: InChI=1S/C11H7Br2F/c12-6-8-2-1-7-5-9(14)3-4-10(7)11(8)13/h1-5H,6H2
• InChIKey: HKVCFWDGTSUHCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(bromomethyl)-6-fluoronaphthalene
• IUPAC Traditional name: 1-bromo-2-(bromomethyl)-6-fluoronaphthalene
• Synonyms: 1-bromo-2-(bromomethyl)-6-fluoronaphthalene

Database IDs

• MDL Number: MFCD01314229
• PubChem SID: 162082840
• PubChem CID: 617427

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6469145
• LogD (pH = 7.4): 4.6469145
• Log P: 4.6469145
• Molar Refractivity: 63.1978 cm^3
• Polarizability: 24.890697 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true