675105-43-8
1-(3,4-DIHYDRO-2-METHYL-1-OXIDO-2H-PYRROL-2-YL)-2,2,2-TRIFLUORO-ETHANONE
Name1-(3,4-DIHYDRO-2-METHYL-1-OXIDO-2H-PYRROL-2-YL)-2,2,2-TRIFLUORO-ETHANONE
1Identification
【Name】
1-(3,4-DIHYDRO-2-METHYL-1-OXIDO-2H-PYRROL-2-YL)-2,2,2-TRIFLUORO-ETHANONE
【CAS】
【MDL】
MFCD13172763
【English Synonyms】
【Formula】
C7 H8 F3 N O2
【MolWeight】
195.139
【Inchi】
InChI=1S/C7H8F3NO2/c1-6(3-2-4-11(6)13)5(12)7(8,9)10/h4H,2-3H2,1H3
【InChIKey】
InChIKey=GSMQEQDWRKLKEA-UHFFFAOYSA-N
【SMILES】
CC1(CCC=[N+]1[O-])C(=O)C(F)(F)F
【MOL File】
1-(3,4-DIHYDRO-2-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,4-DIHYDRO-2-METHYL-1-OXIDO-2H-PYRROL-2-YL)-2,2,2-TRIFLUORO-ETHANONE.cml