2-fluoroacetic acid

• ChemBase ID: 94277
• Molecular Formular: C2H3FO2
• Molecular Mass: 78.0424232
• Monoisotopic Mass: 78.01170756
• SMILES: OC(=O)CF
• Canonical SMILES: OC(=O)CF
• InChI: InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)
• InChIKey: QEWYKACRFQMRMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroacetic acid
• IUPAC Traditional name: fluoroacetic acid
• Synonyms: Fluoroacetic acid; Monofluoroacetic acid; Monofluoroacetate; Fluoroethanoic acid; Cymonic acid

Database IDs

• CAS Number: 144-49-0
• MDL Number: MFCD00039529
• PubChem SID: 162080932
• PubChem CID: 5237
• Chemspider ID: 10205670
• Wikipedia Title: Fluoroacetic_acid

CALCULATED PROPERTIES

• Acid pKa: 3.128982
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4932117
• LogD (pH = 7.4): -3.6066246
• Log P: -0.14950198
• Molar Refractivity: 12.6538 cm^3
• Polarizability: 5.0080748 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35°C
• Boiling Point: 165°C
• Density: 1.35

Safety Information

• Storage Warning: Very Toxic/Hygroscopic

DETAILS

MP Biomedicals - 05213875

MP Biomedicals Rare Chemical collection