937371-63-6
METHYL 5,5,5-TRIFLUORO-4-(4-METHOXYPHENYLAMINO)PENTANOATE
NameMETHYL 5,5,5-TRIFLUORO-4-(4-METHOXYPHENYLAMINO)PENTANOATE
1Identification
【Name】
METHYL 5,5,5-TRIFLUORO-4-(4-METHOXYPHENYLAMINO)PENTANOATE
【CAS】
【MDL】
MFCD09264139
【English Synonyms】
【Formula】
C13 H16 F3 N O3
【MolWeight】
291.267
【Inchi】
InChI=1S/C13H16F3NO3/c1-19-10-5-3-9(4-6-10)17-11(13(14,15)16)7-8-12(18)20-2/h3-6,11,17H,7-8H2,1-2H3
【InChIKey】
InChIKey=STCPLAAGGDBDLY-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)NC(CCC(=O)OC)C(F)(F)F
【MOL File】
METHYL 5,5,5-TRIFLUO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 5,5,5-TRIFLUORO-4-(4-METHOXYPHENYLAMINO)PENTANOATE.cml