727717-69-3
1-([2-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
Name1-([2-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-([2-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04619483
【English Synonyms】
【Formula】
C13 H14 F3 N O4 S
【MolWeight】
337.317
【Inchi】
InChI=1S/C13H14F3NO4S/c14-13(15,16)10-3-1-2-4-11(10)22(20,21)17-7-5-9(6-8-17)12(18)19/h1-4,9H,5-8H2,(H,18,19)
【InChIKey】
InChIKey=XBGCXGKFCAVNJM-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N2CCC(CC2)C(=O)O
【MOL File】
1-([2-(TRIFLUOROMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-([2-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID.cml