1-chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane

• ChemBase ID: 11815
• Molecular Formular: C8Cl2F16O
• Molecular Mass: 486.9654512
• Monoisotopic Mass: 485.9070715
• SMILES: O(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(Cl)(F)F)(F)F)(F)F)(OC(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8Cl2F16O/c9-5(19,20)1(11,12)3(15,16)7(23,24)27-8(25,26)4(17,18)2(13,14)6(10,21)22
• InChIKey: YGAVLUGHTWKNCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane
• IUPAC Traditional name: 1-chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane
• Synonyms: Bis(4-chlorooctafluorobutyl)ether; 1,9-Dichloroperfluoro-5-oxanonane; Bis(4-chlorooctafluorobutyl) ether 97%

Database IDs

• CAS Number: 149697-40-5
• MDL Number: MFCD03094104
• PubChem SID: 160975122
• PubChem CID: 2737791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9469633
• LogD (pH = 7.4): 6.9469633
• Log P: 6.9469633
• Molar Refractivity: 53.3845 cm^3
• Polarizability: 20.614176 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%