887350-97-2
TERT-BUTYL 4-[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]PIPERAZINE-1-CARBOXYLATE
NameTERT-BUTYL 4-[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]PIPERAZINE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 4-[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]PIPERAZINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD08448278
【English Synonyms】
【Formula】
C15 H20 F3 N3 O2
【MolWeight】
331.336
【Inchi】
InChI=1S/C15H20F3N3O2/c1-14(2,3)23-13(22)21-8-6-20(7-9-21)11-4-5-19-12(10-11)15(16,17)18/h4-5,10H,6-9H2,1-3H3
【InChIKey】
InChIKey=IBLSFWMHEMRHJZ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2ccnc(c2)C(F)(F)F
【MOL File】
TERT-BUTYL 4-[2-(TRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 4-[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]PIPERAZINE-1-CARBOXYLATE.cml