2-(1-bromoethyl)-1,4-difluorobenzene

• ChemBase ID: 262052
• Molecular Formular: C8H7BrF2
• Molecular Mass: 221.0419864
• Monoisotopic Mass: 219.96991866
• SMILES: c1(c(ccc(c1)F)F)C(Br)C
• Canonical SMILES: Fc1ccc(c(c1)C(Br)C)F
• InChI: InChI=1S/C8H7BrF2/c1-5(9)7-4-6(10)2-3-8(7)11/h2-5H,1H3
• InChIKey: FURLZDHKWKANLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-bromoethyl)-1,4-difluorobenzene
• IUPAC Traditional name: 2-(1-bromoethyl)-1,4-difluorobenzene
• Synonyms: 2-(1-bromoethyl)-1,4-difluorobenzene

Database IDs

• MDL Number: MFCD11180290
• PubChem SID: 164317962
• PubChem CID: 43141443

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.447962
• LogD (pH = 7.4): 3.447962
• Log P: 3.447962
• Molar Refractivity: 43.76 cm^3
• Polarizability: 16.321167 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.739

Product Information

• Purity: 95%