56761-69-4
PENTAFLUOROPROPANOIC ACID 2-[1-(2,2,3,3,3-PENTAFLUORO-1-OXOPROPYL)-1H-INDOL-3-YL]ETHYL ESTER
NamePENTAFLUOROPROPANOIC ACID 2-[1-(2,2,3,3,3-PENTAFLUORO-1-OXOPROPYL)-1H-INDOL-3-YL]ETHYL ESTER
1Identification
【Name】
PENTAFLUOROPROPANOIC ACID 2-[1-(2,2,3,3,3-PENTAFLUORO-1-OXOPROPYL)-1H-INDOL-3-YL]ETHYL ESTER
【CAS】
【MDL】
MFCD21609019
【English Synonyms】
【Formula】
C16 H9 F10 N O3
【MolWeight】
453.231
【Inchi】
InChI=1S/C16H9F10NO3/c17-13(18,15(21,22)23)11(28)27-7-8(9-3-1-2-4-10(9)27)5-6-30-12(29)14(19,20)16(24,25)26/h1-4,7H,5-6H2
【InChIKey】
InChIKey=JWEOOHWMLVQACK-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(cn2C(=O)C(C(F)(F)F)(F)F)CCOC(=O)C(C(F)(F)F)(F)F
【MOL File】
PENTAFLUOROPROPANOIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PENTAFLUOROPROPANOIC ACID 2-[1-(2,2,3,3,3-PENTAFLUORO-1-OXOPROPYL)-1H-INDOL-3-YL]ETHYL ESTER.cml