24120-18-1
BIS(1H,1H-PERFLUOROOCTYL)FUMARATE
NameBIS(1H,1H-PERFLUOROOCTYL)FUMARATE
1Identification
【Name】
BIS(1H,1H-PERFLUOROOCTYL)FUMARATE
【CAS】
【MDL】
MFCD03094542
【English Synonyms】
BIS(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL) (2E)-BUT-2-ENEDIOATE
【Formula】
C20 H6 F30 O4
【MolWeight】
880.203
【Inchi】
InChI=1S/C20H6F30O4/c21-7(22,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)47)3-53-5(51)1-2-6(52)54-4-8(23,24)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(48,49)50/h1-2H,3-4H2/b2-1+
【InChIKey】
InChIKey=PCINQRFLHHIVBS-OWOJBTEDSA-N
【SMILES】
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)/C=C/C(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
【MOL File】
BIS(1H,1H-PERFLUOROO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:14.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BIS(1H,1H-PERFLUOROOCTYL)FUMARATE.cml