1-(2-cyclopropylethynyl)-2-fluorobenzene

• ChemBase ID: 165263
• Molecular Formular: C11H9F
• Molecular Mass: 160.1875632
• Monoisotopic Mass: 160.06882851
• SMILES: c1cccc(c1F)C#CC1CC1
• Canonical SMILES: Fc1ccccc1C#CC1CC1
• InChI: InChI=1S/C11H9F/c12-11-4-2-1-3-10(11)8-7-9-5-6-9/h1-4,9H,5-6H2
• InChIKey: SOQKPJODEXGRGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-cyclopropylethynyl)-2-fluorobenzene
• IUPAC Traditional name: 1-(2-cyclopropylethynyl)-2-fluorobenzene
• Synonyms: (Cyclopropylethynyl) 2-Fluorobenzene; Cyclopropyl 2-Fluorophenylacetylene

Database IDs

• PubChem SID: 162259396
• PubChem CID: 71315098

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.371075
• LogD (pH = 7.4): 3.371075
• Log P: 3.371075
• Molar Refractivity: 44.2949 cm^3
• Polarizability: 17.34809 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colorless Oil