63804-07-9
4,4,4-TRIFLUORO-1-(2,4,6-TRIMETHYLPHENYL)-1,3-BUTANEDIONE
Name4,4,4-TRIFLUORO-1-(2,4,6-TRIMETHYLPHENYL)-1,3-BUTANEDIONE
1Identification
【Name】
4,4,4-TRIFLUORO-1-(2,4,6-TRIMETHYLPHENYL)-1,3-BUTANEDIONE
【CAS】
【MDL】
MFCD11523448
【English Synonyms】
【Formula】
C13 H13 F3 O2
【MolWeight】
258.238
【Inchi】
InChI=1S/C13H13F3O2/c1-7-4-8(2)12(9(3)5-7)10(17)6-11(18)13(14,15)16/h4-5H,6H2,1-3H3
【InChIKey】
InChIKey=NXSHKVLRLUPJLD-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)C(=O)CC(=O)C(F)(F)F)C
【MOL File】
4,4,4-TRIFLUORO-1-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4,4-TRIFLUORO-1-(2,4,6-TRIMETHYLPHENYL)-1,3-BUTANEDIONE.cml