934162-56-8
2,2,2-Trifluoroacetic acid compound with 4-(piperidin-3-yl)benzoic acid (1:1)
Name2,2,2-Trifluoroacetic acid compound with 4-(piperidin-3-yl)benzoic acid (1:1)
1Identification
【Name】
2,2,2-Trifluoroacetic acid compound with 4-(piperidin-3-yl)benzoic acid (1:1)
【CAS】
【MDL】
【English Synonyms】
【Formula】
C14H16F3NO4
【MolWeight】
319.2763
【Inchi】
InChI=1S/C12H15NO2.C2HF3O2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11;3-2(4,5)1(6)7/h3-6,11,13H,1-2,7-8H2,(H,14,15);(H,6,7)
【InChIKey】
InChIKey=PTVKZRNSFNLKBS-UHFFFAOYSA-N
【SMILES】
N1CC(CCC1)C1=CC=C(C(=O)O)C=C1.FC(C(=O)O)(F)F
【MOL File】
2,2,2-Trifluoroaceti….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2,2,2-Trifluoroacetic acid compound with 4-(piperidin-3-yl)benzoic acid (1:1).cml