898781-08-3
2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE
Name2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE
1Identification
【Name】
2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE
【CAS】
【MDL】
MFCD03842733
【English Synonyms】
【Formula】
C21 H20 F3 N O3
【MolWeight】
391.387
【Inchi】
InChI=1S/C21H20F3NO3/c22-17-11-15(12-18(23)19(17)24)20(26)16-4-2-1-3-14(16)13-25-7-5-21(6-8-25)27-9-10-28-21/h1-4,11-12H,5-10,13H2
【InChIKey】
InChIKey=HBVPLENRDDROPV-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CN2CCC3(CC2)OCCO3)C(=O)c4cc(c(c(c4)F)F)F
【MOL File】
2'-[8-(1,4-DIOXA-8-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE.cml