886767-85-7
3-(3-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-(3-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-(3-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD08686037
【English Synonyms】
【Formula】
C16 H21 F3 N2 O2
【MolWeight】
330.348
【Inchi】
InChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21-8-7-20-13(10-21)11-5-4-6-12(9-11)16(17,18)19/h4-6,9,13,20H,7-8,10H2,1-3H3
【InChIKey】
InChIKey=IWJOMTDAZHNCEF-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCNC(C1)c2cccc(c2)C(F)(F)F
【MOL File】
3-(3-TRIFLUOROMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml