1135198-71-8
1,2-Pyrrolidinedicarboxylic acid, 4-[4-(trifluoromethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
Name1,2-Pyrrolidinedicarboxylic acid, 4-[4-(trifluoromethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
1Identification
【Name】
1,2-Pyrrolidinedicarboxylic acid, 4-[4-(trifluoromethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C17H19F3NO5
【MolWeight】
374.3317
【Inchi】
InChI=1S/C17H20F3NO5/c1-16(2,3)26-15(24)21-9-12(8-13(21)14(22)23)25-11-6-4-10(5-7-11)17(18,19)20/h4-7,12-13H,8-9H2,1-3H3,(H,22,23)/p-1/t12-,13+/m1/s1
【InChIKey】
InChIKey=PBYOZHFYGUBOSZ-OLZOCXBDSA-M
【SMILES】
FC(C1=CC=C(O[C@@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)[O-])C=C1)(F)F
【MOL File】
1,2-Pyrrolidinedicar….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
1,2-Pyrrolidinedicarboxylic acid, 4-[4-(trifluoromethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-.cml