832738-17-7
4,4,4-TRIFLUORO-1-(4-ISOPROPYL-PHENYL)-BUTANE-1,3-DIONE
Name4,4,4-TRIFLUORO-1-(4-ISOPROPYL-PHENYL)-BUTANE-1,3-DIONE
1Identification
【Name】
4,4,4-TRIFLUORO-1-(4-ISOPROPYL-PHENYL)-BUTANE-1,3-DIONE
【CAS】
【MDL】
MFCD03421393
【English Synonyms】
【Formula】
C13 H13 F3 O2
【MolWeight】
258.238
【Inchi】
InChI=1S/C13H13F3O2/c1-8(2)9-3-5-10(6-4-9)11(17)7-12(18)13(14,15)16/h3-6,8H,7H2,1-2H3
【InChIKey】
InChIKey=RBHOXSNQVCLOCL-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc(cc1)C(=O)CC(=O)C(F)(F)F
【MOL File】
4,4,4-TRIFLUORO-1-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4,4-TRIFLUORO-1-(4-ISOPROPYL-PHENYL)-BUTANE-1,3-DIONE.cml