898764-72-2
3,3-DIMETHYL-2'-TRIFLUOROMETHYLBUTYROPHENONE
Name3,3-DIMETHYL-2'-TRIFLUOROMETHYLBUTYROPHENONE
1Identification
【Name】
3,3-DIMETHYL-2'-TRIFLUOROMETHYLBUTYROPHENONE
【CAS】
【MDL】
MFCD03841100
【English Synonyms】
【Formula】
C13 H15 F3 O
【MolWeight】
244.255
【Inchi】
InChI=1S/C13H15F3O/c1-12(2,3)8-11(17)9-6-4-5-7-10(9)13(14,15)16/h4-7H,8H2,1-3H3
【InChIKey】
InChIKey=KRVKXVDPGHKAGY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)CC(=O)c1ccccc1C(F)(F)F
【MOL File】
3,3-DIMETHYL-2'-TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,3-DIMETHYL-2'-TRIFLUOROMETHYLBUTYROPHENONE.cml