898786-99-7
3',4'-DIFLUORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Name3',4'-DIFLUORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
1Identification
【Name】
3',4'-DIFLUORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
【CAS】
【MDL】
MFCD03844274
【English Synonyms】
【Formula】
C17 H22 F2 O3
【MolWeight】
312.354
【Inchi】
InChI=1S/C17H22F2O3/c1-17(2)10-21-16(22-11-17)6-4-3-5-15(20)12-7-8-13(18)14(19)9-12/h7-9,16H,3-6,10-11H2,1-2H3
【InChIKey】
InChIKey=KFTXANYBDMLOMW-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2ccc(c(c2)F)F)C
【MOL File】
3',4'-DIFLUORO-5-(5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3',4'-DIFLUORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE.cml