898755-93-6
BIS-3',5'-TRIFLUOROMETHYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
NameBIS-3',5'-TRIFLUOROMETHYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
1Identification
【Name】
BIS-3',5'-TRIFLUOROMETHYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
【CAS】
【MDL】
MFCD03844307
【English Synonyms】
【Formula】
C19 H22 F6 O3
【MolWeight】
412.368
【Inchi】
InChI=1S/C19H22F6O3/c1-17(2)10-27-16(28-11-17)6-4-3-5-15(26)12-7-13(18(20,21)22)9-14(8-12)19(23,24)25/h7-9,16H,3-6,10-11H2,1-2H3
【InChIKey】
InChIKey=JCLMYOUKBFDWDG-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C
【MOL File】
BIS-3',5'-TRIFLUOROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BIS-3',5'-TRIFLUOROMETHYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE.cml