1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

• ChemBase ID: 11901
• Molecular Formular: C8Cl2F16
• Molecular Mass: 470.9660512
• Monoisotopic Mass: 469.91215688
• SMILES: ClC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(Cl)(F)F)(F)F)(F)F)(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
• InChIKey: GFQXWORJCNTDPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
• IUPAC Traditional name: pfdco
• Synonyms: 1,8-Dichloroperfluorooctane; 1,8-Dichloroperfluorooctane 99%

Database IDs

• CAS Number: 647-25-6
• MDL Number: MFCD00155747
• PubChem SID: 160975208
• PubChem CID: 2774033

CALCULATED PROPERTIES

• LogD (pH = 7.4): 6.698947
• Log P: 6.698947
• Molar Refractivity: 50.5468 cm^3
• Polarizability: 19.780918 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.698947

PROPERTIES

Physical Property

• Boiling Point: 115°C/200mm; 115°C/299mm

Safety Information

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

Product Information

• Purity: 99%