1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane

• ChemBase ID: 10335
• Molecular Formular: C10H9F13O2
• Molecular Mass: 408.1565016
• Monoisotopic Mass: 408.03949639
• SMILES: C(C(F)(F)F)(C(C(C(C(CC(OC)OC)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
• InChI: InChI=1S/C10H9F13O2/c1-24-4(25-2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3
• InChIKey: BYPGRUVLTPMKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane
• Synonyms: 2-(Perfluoro-n-hexyl)acetaldehyde dimethyl acetal 97%; 2-(Perfluorohexyl)acetaldehyde dimethyl acetal

Database IDs

• CAS Number: 142502-76-9
• MDL Number: MFCD00236703
• PubChem SID: 160973642
• PubChem CID: 2776157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.065364
• LogD (pH = 7.4): 5.065364
• Log P: 5.065364
• Molar Refractivity: 52.0355 cm^3
• Polarizability: 20.264856 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 71°C/14mm
• Density: 1.534
• Refractive Index: 1.322

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%