2,2-difluoro-1,3-dimethylimidazolidine

• ChemBase ID: 93339
• Molecular Formular: C5H10F2N2
• Molecular Mass: 136.1431064
• Monoisotopic Mass: 136.08120477
• SMILES: N1(C)CCN(C1(F)F)C
• Canonical SMILES: CN1CCN(C1(F)F)C
• InChI: InChI=1S/C5H10F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H2,1-2H3
• InChIKey: MGDCBOKBTJIJBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-1,3-dimethylimidazolidine
• IUPAC Traditional name: 2,2-difluoro-1,3-dimethylimidazolidine
• Synonyms: 2,2-Difluoro-1,3-dimethylimidazolidine

Database IDs

• CAS Number: 220405-40-3
• MDL Number: MFCD03788478
• PubChem SID: 162080024
• PubChem CID: 2779111

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5401344
• LogD (pH = 7.4): 1.5401344
• Log P: 1.5401344
• Molar Refractivity: 28.9176 cm^3
• Polarizability: 11.810825 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8.7°C
• Boiling Point: 47°C/37mm
• Flash Point: 40°C
• Density: 1.096
• Refractive Index: 1.40

Safety Information

• Storage Warning: Corrosive/Flammable/Toxic/Moisture Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 98%