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

• ChemBase ID: 100877
• Molecular Formular: C9Cl2F16O
• Molecular Mass: 498.9761512
• Monoisotopic Mass: 497.9070715
• 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)Cl
• Canonical SMILES: ClC(=O)C(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9Cl2F16O/c10-1(28)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(11,26)27
• InChIKey: LPBOLJCVHPGHSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• IUPAC Traditional name: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• Synonyms: 9-Chloroperfluorononanoyl chloride

Database IDs

• MDL Number: MFCD00155673
• PubChem SID: 162086969
• PubChem CID: 2773822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.5534983
• LogD (pH = 7.4): 6.5534983
• Log P: 6.5534983
• Molar Refractivity: 55.0232 cm^3
• Polarizability: 21.70331 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 68-70°C/14mm

Safety Information

• Storage Warning: Corrosive