898755-91-4
BIS-3',5'-TRIFLUOROMETHYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
NameBIS-3',5'-TRIFLUOROMETHYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
1Identification
【Name】
BIS-3',5'-TRIFLUOROMETHYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
【CAS】
【MDL】
MFCD03844306
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 F6 O3
【pro_molWeight】
398.341
【Inchi】
InChI=1S/C18H20F6O3/c1-16(2)9-26-15(27-10-16)5-3-4-14(25)11-6-12(17(19,20)21)8-13(7-11)18(22,23)24/h6-8,15H,3-5,9-10H2,1-2H3
【InChIKey】
InChIKey=ACSUTRWEBANKCN-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C
【MOL File】
BIS-3',5'-TRIFLUOROM….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BIS-3',5'-TRIFLUOROMETHYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE.cml