dibutyl[(dibutylamino)difluoromethyl]amine

• ChemBase ID: 93344
• Molecular Formular: C17H36F2N2
• Molecular Mass: 306.4779464
• Monoisotopic Mass: 306.2846556
• SMILES: N(C(F)(N(CCCC)CCCC)F)(CCCC)CCCC
• Canonical SMILES: CCCCN(C(N(CCCC)CCCC)(F)F)CCCC
• InChI: InChI=1S/C17H36F2N2/c1-5-9-13-20(14-10-6-2)17(18,19)21(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
• InChIKey: QSGNJWCYVPXGKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl[(dibutylamino)difluoromethyl]amine
• IUPAC Traditional name: dibutyl[(dibutylamino)difluoromethyl]amine
• Synonyms: Bis(dibutylamino)difluoromethane

Database IDs

• CAS Number: 220405-41-4
• MDL Number: MFCD09259013
• PubChem SID: 162080029
• PubChem CID: 2779117

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.0072556
• LogD (pH = 7.4): 7.0072556
• Log P: 7.0072556
• Molar Refractivity: 86.381 cm^3
• Polarizability: 34.465755 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant