135587-12-1
1-(3,3,4,4,5,5,6,6-OCTAFLUORO-1-IODOHEXYL)-2,8,9-TRIOXA-5-AZA-1-SILABI CYCLO(3.3.3)UNDECANE
Name1-(3,3,4,4,5,5,6,6-OCTAFLUORO-1-IODOHEXYL)-2,8,9-TRIOXA-5-AZA-1-SILABI CYCLO(3.3.3)UNDECANE
FormulaC12 H16 F8 I N O3 Si
1Identification
【Name】
1-(3,3,4,4,5,5,6,6-OCTAFLUORO-1-IODOHEXYL)-2,8,9-TRIOXA-5-AZA-1-SILABI CYCLO(3.3.3)UNDECANE
【CAS】
【MDL】
MFCD01677729
【English Synonyms】
【Formula】
C12 H16 F8 I N O3 Si
【MolWeight】
529.232
【Inchi】
InChI=1S/C12H16F8INO3Si/c13-9(14)11(17,18)12(19,20)10(15,16)7-8(21)26-23-4-1-22(2-5-24-26)3-6-25-26/h8-9H,1-7H2
【InChIKey】
InChIKey=ATTJAAXCEFIJKN-UHFFFAOYSA-N
【SMILES】
C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(F)F)(F)F)(F)F)(F)F)I
【MOL File】
1-(3,3,4,4,5,5,6,6-O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,3,4,4,5,5,6,6-OCTAFLUORO-1-IODOHEXYL)-2,8,9-TRIOXA-5-AZA-1-SILABI CYCLO(3.3.3)UNDECANE.cml