methyl 2-fluoroprop-2-enoate

• ChemBase ID: 97944
• Molecular Formular: C4H5FO2
• Molecular Mass: 104.0797032
• Monoisotopic Mass: 104.02735762
• SMILES: FC(=C)C(=O)OC
• Canonical SMILES: COC(=O)C(=C)F
• InChI: InChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3
• InChIKey: ZTZJVAOTIOAZGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-fluoroprop-2-enoate
• IUPAC Traditional name: methyl 2-fluoroprop-2-enoate
• Synonyms: Methyl 2-fluoroprop-2-enoate; Methyl 2-fluoroacrylate

Database IDs

• CAS Number: 2343-89-7
• MDL Number: MFCD04039286
• PubChem SID: 162084422
• PubChem CID: 2782524

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.83978426
• LogD (pH = 7.4): 0.83978426
• Log P: 0.83978426
• Molar Refractivity: 22.2634 cm^3
• Polarizability: 8.4900675 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 91°C/750mm
• Density: 1.114
• Refractive Index: 1.3900

Safety Information

• Storage Warning: Toxic/Highly Flammable/Keep Cold

Product Information

• Purity: 95+%