559-94-4
4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE
Name4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE
1Identification
【Name】
4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE
【CAS】
【MDL】
MFCD00047091
【English Synonyms】
【Formula】
C10 H5 F7 O2 S
【MolWeight】
322.199
【Inchi】
InChI=1S/C10H5F7O2S/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6/h1-3H,4H2
【InChIKey】
InChIKey=QHOQGOZSTQAYRH-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
【MOL File】
4,4,5,5,6,6,6-HEPTAF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE.cml