1-(1-bromoethyl)-4-fluorobenzene

• ChemBase ID: 261860
• Molecular Formular: C8H8BrF
• Molecular Mass: 203.0515232
• Monoisotopic Mass: 201.97934048
• SMILES: c1(ccc(cc1)F)C(Br)C
• Canonical SMILES: CC(c1ccc(cc1)F)Br
• InChI: InChI=1S/C8H8BrF/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3
• InChIKey: PHGMUOJCQCLPBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-bromoethyl)-4-fluorobenzene
• IUPAC Traditional name: 1-(1-bromoethyl)-4-fluorobenzene
• Synonyms: 1-(1-bromoethyl)-4-fluorobenzene

Database IDs

• MDL Number: MFCD11180274
• PubChem SID: 164317770
• PubChem CID: 13389030

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3052602
• LogD (pH = 7.4): 3.3052602
• Log P: 3.3052602
• Molar Refractivity: 43.5436 cm^3
• Polarizability: 16.444616 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.596

Product Information

• Purity: 95%