1-(but-3-en-1-yl)-4-fluorobenzene

• ChemBase ID: 11953
• Molecular Formular: C10H11F
• Molecular Mass: 150.1927432
• Monoisotopic Mass: 150.08447857
• SMILES: C=CCCc1ccc(F)cc1
• Canonical SMILES: C=CCCc1ccc(cc1)F
• InChI: InChI=1S/C10H11F/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8H,1,3-4H2
• InChIKey: FFFAIJCWQUVINB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(but-3-en-1-yl)-4-fluorobenzene
• IUPAC Traditional name: 1-(but-3-en-1-yl)-4-fluorobenzene
• Synonyms: 4-(4-Fluorophenyl)-1-butene; 4-(4-Fluorophenyl)but-1-ene; 1-(But-3-en-1-yl)-4-fluorobenzene; 4-(But-3-en-1-yl)fluorobenzene

Database IDs

• CAS Number: 2248-13-7
• MDL Number: MFCD00671360
• PubChem SID: 160975260
• PubChem CID: 2782359

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6590872
• LogD (pH = 7.4): 3.6590872
• Log P: 3.6590872
• Molar Refractivity: 45.1627 cm^3
• Polarizability: 17.025448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 72°C/9mm
• Flash Point: 56°C
• Density: 0.97

Safety Information

• Storage Warning: Flammable; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%