potassium trifluoro(pyrrolidin-1-ylmethyl)boranuide

• ChemBase ID: 98624
• Molecular Formular: C5H10BF3KN
• Molecular Mass: 191.0441096
• Monoisotopic Mass: 191.04954607
• SMILES: [B-](F)(F)(CN1CCCC1)F.[K+]
• Canonical SMILES: F[B-](CN1CCCC1)(F)F.[K+]
• InChI: InChI=1S/C5H10BF3N.K/c7-6(8,9)5-10-3-1-2-4-10;/h1-5H2;/q-1;+1
• InChIKey: IPPVCGNMEPSDMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(pyrrolidin-1-ylmethyl)boranuide
• IUPAC Traditional name: potassium ion trifluoro(pyrrolidin-1-ylmethyl)boranuide
• Synonyms: Potassium [(pyrrolidin-1-yl)methyl]trifluoroborate

Database IDs

• CAS Number: 888711-53-3
• MDL Number: MFCD10700161
• PubChem SID: 162085020
• PubChem CID: 45588176

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1260173
• LogD (pH = 7.4): 1.1562012
• Log P: 1.1566
• Molar Refractivity: 30.757 cm^3
• Polarizability: 12.375458 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold