1,3-dibutyl-2,2-difluoroimidazolidine

• ChemBase ID: 93343
• Molecular Formular: C11H22F2N2
• Molecular Mass: 220.3025864
• Monoisotopic Mass: 220.17510515
• SMILES: N1(CCN(C1(F)F)CCCC)CCCC
• Canonical SMILES: CCCCN1CCN(C1(F)F)CCCC
• InChI: InChI=1S/C11H22F2N2/c1-3-5-7-14-9-10-15(8-6-4-2)11(14,12)13/h3-10H2,1-2H3
• InChIKey: CMCLBULJKGITSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibutyl-2,2-difluoroimidazolidine
• IUPAC Traditional name: 1,3-dibutyl-2,2-difluoroimidazolidine
• Synonyms: 1,3-Dibutyl-2,2-difluoroimidazolidine

Database IDs

• CAS Number: 220405-42-5
• MDL Number: MFCD03788479
• PubChem SID: 162080028
• PubChem CID: 2779115

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1879325
• LogD (pH = 7.4): 4.1879325
• Log P: 4.1879325
• Molar Refractivity: 56.6648 cm^3
• Polarizability: 22.72899 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable