896045-89-9
1-(2-TRIFLUOROMETHYL-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
Name1-(2-TRIFLUOROMETHYL-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(2-TRIFLUOROMETHYL-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05170969
【English Synonyms】
【Formula】
C14 H16 F3 N O2
【MolWeight】
287.279
【Inchi】
InChI=1S/C14H16F3NO2/c15-14(16,17)12-6-2-1-4-10(12)8-18-7-3-5-11(9-18)13(19)20/h1-2,4,6,11H,3,5,7-9H2,(H,19,20)
【InChIKey】
InChIKey=UEDBYOVJRBVHEC-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CN2CCCC(C2)C(=O)O)C(F)(F)F
【MOL File】
1-(2-TRIFLUOROMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-TRIFLUOROMETHYL-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID.cml