1-fluoro-4-(prop-2-yn-1-yloxy)benzene

• ChemBase ID: 271510
• Molecular Formular: C9H7FO
• Molecular Mass: 150.1496832
• Monoisotopic Mass: 150.04809306
• SMILES: C(#C)COc1ccc(F)cc1
• Canonical SMILES: C#CCOc1ccc(cc1)F
• InChI: InChI=1S/C9H7FO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7H2
• InChIKey: KVRJLSPSYFYNAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-(prop-2-yn-1-yloxy)benzene
• IUPAC Traditional name: 1-fluoro-4-(prop-2-yn-1-yloxy)benzene
• Synonyms: 1-fluoro-4-(prop-2-yn-1-yloxy)benzene

Database IDs

• MDL Number: MFCD14631204
• PubChem SID: 164327420
• PubChem CID: 14513183

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1863596
• LogD (pH = 7.4): 2.1863596
• Log P: 2.1863596
• Molar Refractivity: 40.3178 cm^3
• Polarizability: 15.094375 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.944

Product Information

• Purity: 95%