methyl 2,2-difluoropropanoate

• ChemBase ID: 241705
• Molecular Formular: C4H6F2O2
• Molecular Mass: 124.0860464
• Monoisotopic Mass: 124.03358587
• SMILES: C(C(=O)OC)(F)(F)C
• Canonical SMILES: COC(=O)C(F)(F)C
• InChI: InChI=1S/C4H6F2O2/c1-4(5,6)3(7)8-2/h1-2H3
• InChIKey: RWBWZPDOQVNCHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,2-difluoropropanoate
• IUPAC Traditional name: methyl 2,2-difluoropropanoate
• Synonyms: methyl 2,2-difluoropropanoate

Database IDs

• MDL Number: MFCD20489374
• PubChem SID: 164297615
• PubChem CID: 15655240

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.81417924
• LogD (pH = 7.4): 0.81417924
• Log P: 0.81417924
• Molar Refractivity: 22.5551 cm^3
• Polarizability: 8.699828 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.007

Product Information

• Purity: 95%