898758-12-8
4'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-TRIFLUOROMETHYLBENZOPHENONE
Name4'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-TRIFLUOROMETHYLBENZOPHENONE
1Identification
【Name】
4'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-TRIFLUOROMETHYLBENZOPHENONE
【CAS】
【MDL】
MFCD03841698
【English Synonyms】
【Formula】
C22 H22 F3 N O3
【MolWeight】
405.414
【Inchi】
InChI=1S/C22H22F3NO3/c23-22(24,25)19-3-1-2-18(14-19)20(27)17-6-4-16(5-7-17)15-26-10-8-21(9-11-26)28-12-13-29-21/h1-7,14H,8-13,15H2
【InChIKey】
InChIKey=YGKIKKBNKLZFLM-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)C(=O)c2ccc(cc2)CN3CCC4(CC3)OCCO4
【MOL File】
4'-[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
4'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-TRIFLUOROMETHYLBENZOPHENONE.cml