2-fluoro-1-methoxy-4-(prop-2-en-1-yl)benzene

• ChemBase ID: 100197
• Molecular Formular: C10H11FO
• Molecular Mass: 166.1921432
• Monoisotopic Mass: 166.07939319
• SMILES: O(c1c(cc(cc1)CC=C)F)C
• Canonical SMILES: C=CCc1ccc(c(c1)F)OC
• InChI: InChI=1S/C10H11FO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7H,1,4H2,2H3
• InChIKey: DAPPOZGBOWCXOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1-methoxy-4-(prop-2-en-1-yl)benzene
• IUPAC Traditional name: 2-fluoro-1-methoxy-4-(prop-2-en-1-yl)benzene
• Synonyms: 3-(3-Fluoro-4-methoxyphenyl)prop-1-ene; 4-Allyl-2-fluoroanisole

Database IDs

• MDL Number: MFCD06201191
• PubChem SID: 162086351
• PubChem CID: 2759004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0568473
• LogD (pH = 7.4): 3.0568473
• Log P: 3.0568473
• Molar Refractivity: 47.0249 cm^3
• Polarizability: 17.775505 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable