2-fluoroethyl 2-methylprop-2-enoate

• ChemBase ID: 9796
• Molecular Formular: C6H9FO2
• Molecular Mass: 132.1328632
• Monoisotopic Mass: 132.05865775
• SMILES: O=C(C(=C)C)OCCF
• Canonical SMILES: CC(=C)C(=O)OCCF
• InChI: InChI=1S/C6H9FO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
• InChIKey: WPSKNCNCLSXMTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-fluoroethyl 2-methylprop-2-enoate
• Synonyms: 2-Fluoroethyl methacrylate; 2-Fluoroethyl methacrylate 97%

Database IDs

• CAS Number: 686-54-4
• MDL Number: MFCD00042288
• PubChem SID: 160973103
• PubChem CID: 2737319

CALCULATED PROPERTIES

• Molar Refractivity: 31.0178 cm^3
• Polarizability: 12.087846 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5087149
• LogD (pH = 7.4): 1.5087149
• Log P: 1.5087149

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%