2,2-difluorocyclopropane-1-carbaldehyde

• ChemBase ID: 813843
• Molecular Formular: C4H4F2O
• Molecular Mass: 106.0707664
• Monoisotopic Mass: 106.02302119
• SMILES: C1(C(C1)(F)F)C=O
• Canonical SMILES: O=CC1CC1(F)F
• InChI: InChI=1S/C4H4F2O/c5-4(6)1-3(4)2-7/h2-3H,1H2
• InChIKey: COMTUQUKBYLVTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluorocyclopropane-1-carbaldehyde
• IUPAC Traditional name: 2,2-difluorocyclopropane-1-carbaldehyde
• Synonyms: 2,2-difluorocyclopropanecarbaldehyde

Database IDs

• CAS Number: 1192109-69-5

CALCULATED PROPERTIES

• Log P: 0.2692994
• Molar Refractivity: 19.4489 cm^3
• Polarizability: 7.229352 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 8.505344
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.26887402
• LogD (pH = 7.4): 0.2367659

PROPERTIES

Product Information

• Purity: 98%