1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

• ChemBase ID: 8843
• Molecular Formular: C10H5F17
• Molecular Mass: 448.1195544
• Monoisotopic Mass: 448.0119799
• SMILES: FC(C(C(C(C(C(C(C(CC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H2,1H3
• InChIKey: JNAIMEWMJYVGEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
• Synonyms: (Perfluoro-n-octyl)ethane; 1H,1H,1H,2H,2H-Perfluorodecane; (Perfluoro-n-octyl)ethane 97%

Database IDs

• CAS Number: 77117-48-7
• MDL Number: MFCD00236711
• PubChem SID: 160972150
• PubChem CID: 53588

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.681749
• LogD (pH = 7.4): 6.681749
• Log P: 6.681749
• Molar Refractivity: 49.4781 cm^3
• Polarizability: 19.203718 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 77°C/50mm
• Density: 1.654
• Refractive Index: 1.3; 1.300

Safety Information

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

Product Information

• Purity: 97%