potassium trifluoro[3-(piperidine-1-carbonyl)phenyl]boranuide

• ChemBase ID: 297774
• Molecular Formular: C12H14BF3KNO
• Molecular Mass: 295.1501696
• Monoisotopic Mass: 295.07576081
• SMILES: [B-](c1cccc(c1)C(=O)N1CCCCC1)(F)(F)F.[K+]
• Canonical SMILES: O=C(c1cccc(c1)[B-](F)(F)F)N1CCCCC1.[K+]
• InChI: InChI=1S/C12H14BF3NO.K/c14-13(15,16)11-6-4-5-10(9-11)12(18)17-7-2-1-3-8-17;/h4-6,9H,1-3,7-8H2;/q-1;+1
• InChIKey: UPGVKVJCSVDXMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro[3-(piperidine-1-carbonyl)phenyl]boranuide
• IUPAC Traditional name: potassium trifluoro[3-(piperidine-1-carbonyl)phenyl]boranuide
• Synonyms: Potassium 3-(1-piperidinylcarbonyl)phenyltrifluoroborate; 3-(1-哌啶羰基)苯基三氟硼酸钾

Database IDs

• MDL Number: MFCD12546202
• PubChem SID: 180683305
• PubChem CID: 71306504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9956999
• LogD (pH = 7.4): 1.9957
• Log P: 1.9957
• Molar Refractivity: 60.992 cm^3
• Polarizability: 23.18783 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%