potassium pentadecafluorooctanoate

• ChemBase ID: 94449
• Molecular Formular: C8F15KO2
• Molecular Mass: 452.158748
• Monoisotopic Mass: 451.92958422
• SMILES: O=C(C(C(F)(F)C(F)(F)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)[O-].[K+]
• Canonical SMILES: [O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+]
• InChI: InChI=1S/C8HF15O2.K/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
• InChIKey: WPDDXKNWUVLZMQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium pentadecafluorooctanoate
• IUPAC Traditional name: potassium ion pentadecafluorooctanoate
• Synonyms: Potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate; Potassium perfluorooctanoate 97%

Database IDs

• CAS Number: 2395-00-8
• MDL Number: MFCD00971756
• PubChem SID: 162081103
• PubChem CID: 4253803

CALCULATED PROPERTIES

• Acid pKa: -4.198617
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5833719
• LogD (pH = 7.4): 1.5833716
• Log P: 5.112839
• Molar Refractivity: 52.499 cm^3
• Polarizability: 16.596481 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false