tetrabutylazanium fluoride dihydrofluoride

• ChemBase ID: 9904
• Molecular Formular: C16H38F3N
• Molecular Mass: 301.4748296
• Monoisotopic Mass: 301.29563488
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[F-].F.F
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F.F.[F-]
• InChI: InChI=1S/C16H36N.3FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;/p-1
• InChIKey: MRXQMNWIADOAJY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium fluoride dihydrofluoride
• IUPAC Traditional name: tetrabutylammonium fluoride dihydrofluoride
• Synonyms: Tetra-n-butylammonium dihydrogen trifluoride

Database IDs

• CAS Number: 99337-56-1
• MDL Number: MFCD00145365
• PubChem SID: 160973211
• PubChem CID: 11748636

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: FLAMMABLE, CORROSIVE
• TSCA Listed: false