1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane

• ChemBase ID: 11900
• Molecular Formular: C10Cl2F20
• Molecular Mass: 570.981064
• Monoisotopic Mass: 569.90576976
• SMILES: ClC(C(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)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C10Cl2F20/c11-9(29,30)7(25,26)5(21,22)3(17,18)1(13,14)2(15,16)4(19,20)6(23,24)8(27,28)10(12,31)32
• InChIKey: URMYIKJKCYYLMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane
• IUPAC Traditional name: 1,10-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane
• Synonyms: 1,10-Dichloroperfluorodecane

Database IDs

• CAS Number: 156186-28-6
• MDL Number: MFCD00155742
• PubChem SID: 160975207
• PubChem CID: 2774032

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.100232
• LogD (pH = 7.4): 8.100232
• Log P: 8.100232
• Molar Refractivity: 59.8828 cm^3
• Polarizability: 23.610466 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: >1.4

Safety Information

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

Product Information

• Purity: 97%