51924-57-3
3-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONE
Name3-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONE
1Identification
【Name】
3-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONE
【CAS】
【MDL】
MFCD00042415
【English Synonyms】
【Formula】
C13 H12 F3 N O
【MolWeight】
255.238
【Inchi】
InChI=1S/C13H12F3NO/c14-13(15,16)9-3-1-4-10(7-9)17-11-5-2-6-12(18)8-11/h1,3-4,7-8,17H,2,5-6H2
【InChIKey】
InChIKey=BUOMXIHBKTWMPR-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)NC2=CC(=O)CCC2)C(F)(F)F
【MOL File】
3-((3-(TRIFLUOROMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONE.cml