potassium (2-cyanoethyl)trifluoroboranuide

• ChemBase ID: 271290
• Molecular Formular: C3H4BF3KN
• Molecular Mass: 160.9750696
• Monoisotopic Mass: 161.00259587
• SMILES: [B-](F)(F)(F)CCC#N.[K+]
• Canonical SMILES: N#CCC[B-](F)(F)F.[K+]
• InChI: InChI=1S/C3H4BF3N.K/c5-4(6,7)2-1-3-8;/h1-2H2;/q-1;+1
• InChIKey: BDMPUNWNWFAAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2-cyanoethyl)trifluoroboranuide
• IUPAC Traditional name: potassium (2-cyanoethyl)trifluoroboranuide
• Synonyms: potassium (2-cyanoethyl)trifluoroboranuide

Database IDs

• MDL Number: MFCD11052653
• PubChem SID: 164327200
• PubChem CID: 42632475

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0694
• LogD (pH = 7.4): 0.0694
• Log P: 0.0694
• Molar Refractivity: 19.7163 cm^3
• Polarizability: 7.987015 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.856

Product Information

• Purity: 95%