3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione

• ChemBase ID: 266769
• Molecular Formular: C8H6F6O3
• Molecular Mass: 264.1218592
• Monoisotopic Mass: 264.02211337
• SMILES: C(=COCC)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• Canonical SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• InChI: InChI=1S/C8H6F6O3/c1-2-17-3-4(5(15)7(9,10)11)6(16)8(12,13)14/h3H,2H2,1H3
• InChIKey: WMWGQCRNEUZSSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
• IUPAC Traditional name: 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
• Synonyms: 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione

Database IDs

• MDL Number: MFCD00799532
• PubChem SID: 164322679
• PubChem CID: 13418450

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9233215
• LogD (pH = 7.4): 2.9233215
• Log P: 2.9233215
• Molar Refractivity: 43.9658 cm^3
• Polarizability: 15.750943 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.175

Product Information

• Purity: 95%