N,N-dimethylcyclopentaniminium; tetrafluoroboranuide

• ChemBase ID: 95813
• Molecular Formular: C7H14BF4N
• Molecular Mass: 198.9973728
• Monoisotopic Mass: 199.11554273
• SMILES: [N+](=C1CCCC1)(C)C.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.C[N+](=C1CCCC1)C
• InChI: InChI=1S/C7H14N.BF4/c1-8(2)7-5-3-4-6-7;2-1(3,4)5/h3-6H2,1-2H3;/q+1;-1
• InChIKey: PNISQSOEWBRVKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylcyclopentaniminium; tetrafluoroboranuide
• IUPAC Traditional name: N,N-dimethylcyclopentaniminium tetrafluoroborate
• Synonyms: Cyclopentyliden(dimethyl)ammonium tetrafluoroborate

Database IDs

• MDL Number: MFCD00219098
• PubChem SID: 162082462
• PubChem CID: 2780446

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.2365031
• LogD (pH = 7.4): -2.2365031
• Log P: -2.2365031
• Molar Refractivity: 46.7118 cm^3
• Polarizability: 13.92234 Å^3
• Polar Surface Area: 3.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful