901920-52-3
1-[3-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE-4-CARBOXYLIC ACID
Name1-[3-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-[3-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05169706
【English Synonyms】
【Formula】
C14 H16 F3 N O2
【MolWeight】
287.279
【Inchi】
InChI=1S/C14H16F3NO2/c15-14(16,17)12-3-1-2-10(8-12)9-18-6-4-11(5-7-18)13(19)20/h1-3,8,11H,4-7,9H2,(H,19,20)
【InChIKey】
InChIKey=DHUNLMORYJWVHS-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)CN2CCC(CC2)C(=O)O
【MOL File】
1-[3-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[3-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE-4-CARBOXYLIC ACID.cml