1-(4-bromo-3-fluorophenyl)cyclopropan-1-ol

• ChemBase ID: 241200
• Molecular Formular: C9H8BrFO
• Molecular Mass: 231.0616232
• Monoisotopic Mass: 229.9742551
• SMILES: C1(CC1)(c1cc(c(cc1)Br)F)O
• Canonical SMILES: Brc1ccc(cc1F)C1(O)CC1
• InChI: InChI=1S/C9H8BrFO/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,12H,3-4H2
• InChIKey: RWANOCLSGHFUPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromo-3-fluorophenyl)cyclopropan-1-ol
• IUPAC Traditional name: 1-(4-bromo-3-fluorophenyl)cyclopropan-1-ol
• Synonyms: 1-(4-bromo-3-fluorophenyl)cyclopropan-1-ol

Database IDs

• MDL Number: MFCD16840856
• PubChem SID: 164297110
• PubChem CID: 62670552

CALCULATED PROPERTIES

• Acid pKa: 14.224322
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5066838
• LogD (pH = 7.4): 2.5066838
• Log P: 2.5066838
• Molar Refractivity: 47.8139 cm^3
• Polarizability: 18.359928 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.454

Product Information

• Purity: 95%