840491-84-1
4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD12913535
【English Synonyms】
【Formula】
C17 H21 F3 N2 O3
【MolWeight】
358.358
【Inchi】
InChI=1S/C17H21F3N2O3/c1-16(2,3)25-15(24)22-10-8-21(9-11-22)14(23)12-6-4-5-7-13(12)17(18,19)20/h4-7H,8-11H2,1-3H3
【InChIKey】
InChIKey=LXOFYXAMQPVFHC-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccccc2C(F)(F)F
【MOL File】
4-(2-TRIFLUOROMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml