2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride

• ChemBase ID: 97437
• Molecular Formular: C9HClF16O
• Molecular Mass: 464.5310912
• Monoisotopic Mass: 463.94604385
• SMILES: ClC(=O)C(C(C(F)(F)C(C(C(F)(F)C(F)(F)C(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C9HClF16O/c10-1(27)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(11)12/h2H
• InChIKey: RJYUFWDUKZUCSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• Synonyms: 9H-Perfluorononanoyl chloride 97%

Database IDs

• CAS Number: 423-95-0
• MDL Number: MFCD00042120
• PubChem SID: 162084044
• PubChem CID: 2776253

CALCULATED PROPERTIES

• Acid pKa: 19.78678
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.8580513
• LogD (pH = 7.4): 5.8580513
• Log P: 5.8580513
• Molar Refractivity: 49.2987 cm^3
• Polarizability: 19.746223 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 166-170°C
• Density: 1.803
• Refractive Index: 1.322

Safety Information

• Storage Warning: Corrosive