898762-43-1
3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE
Name3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE
1Identification
【Name】
3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE
【CAS】
【MDL】
MFCD03842223
【English Synonyms】
【Formula】
C21 H20 F3 N O3
【MolWeight】
391.387
【Inchi】
InChI=1S/C21H20F3NO3/c22-17-11-16(12-18(23)19(17)24)20(26)15-3-1-2-14(10-15)13-25-6-4-21(5-7-25)27-8-9-28-21/h1-3,10-12H,4-9,13H2
【InChIKey】
InChIKey=RQTZRKRNSXVDHW-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)c2cc(c(c(c2)F)F)F)CN3CCC4(CC3)OCCO4
【MOL File】
3'-[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
3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3,4,5-TRIFLUOROBENZOPHENONE.cml