2-fluoroethyl prop-2-enoate

• ChemBase ID: 97017
• Molecular Formular: C5H7FO2
• Molecular Mass: 118.1062832
• Monoisotopic Mass: 118.04300768
• SMILES: O(CCF)C(=O)C=C
• Canonical SMILES: FCCOC(=O)C=C
• InChI: InChI=1S/C5H7FO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
• InChIKey: DUCAVBJYSSNCJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroethyl prop-2-enoate
• IUPAC Traditional name: 2-fluoroethyl prop-2-enoate
• Synonyms: 2-Fluoroethyl prop-2-enoate; 2-Fluoroethyl acrylate 97%

Database IDs

• CAS Number: 141680-53-7
• MDL Number: MFCD00042287
• PubChem SID: 162083645
• PubChem CID: 2737317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1131644
• LogD (pH = 7.4): 1.1131644
• Log P: 1.1131644
• Molar Refractivity: 26.6607 cm^3
• Polarizability: 10.278904 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant