76552-51-7
2,4-DIHYDRO-5-METHYL-2-(2,2,2-TRIFLUOROETHYL)-3H-PYRAZOL-3-ONE
Name2,4-DIHYDRO-5-METHYL-2-(2,2,2-TRIFLUOROETHYL)-3H-PYRAZOL-3-ONE
1Identification
【Name】
2,4-DIHYDRO-5-METHYL-2-(2,2,2-TRIFLUOROETHYL)-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD16620129
【English Synonyms】
【Formula】
C6 H7 F3 N2 O
【MolWeight】
180.128
【Inchi】
InChI=1S/C6H7F3N2O/c1-4-2-5(12)11(10-4)3-6(7,8)9/h2-3H2,1H3
【InChIKey】
InChIKey=CRDAXJXLLSGXMF-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)CC(F)(F)F
【MOL File】
2,4-DIHYDRO-5-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-5-METHYL-2-(2,2,2-TRIFLUOROETHYL)-3H-PYRAZOL-3-ONE.cml