930111-06-1
PENTAFLUOROPHENYL 1-(THIEN-2-YLMETHYL)PIPERIDINE-4-CARBOXYLATE
NamePENTAFLUOROPHENYL 1-(THIEN-2-YLMETHYL)PIPERIDINE-4-CARBOXYLATE
pro_formulaC17 H14 F5 N O2 S
1Identification
【Name】
PENTAFLUOROPHENYL 1-(THIEN-2-YLMETHYL)PIPERIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD09879954
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H14 F5 N O2 S
【pro_molWeight】
391.359
【Inchi】
InChI=1S/C17H14F5NO2S/c18-11-12(19)14(21)16(15(22)13(11)20)25-17(24)9-3-5-23(6-4-9)8-10-2-1-7-26-10/h1-2,7,9H,3-6,8H2
【InChIKey】
InChIKey=ZANIAEUMQOHKCJ-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)CN2CCC(CC2)C(=O)Oc3c(c(c(c(c3F)F)F)F)F
【MOL File】
PENTAFLUOROPHENYL 1-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
PENTAFLUOROPHENYL 1-(THIEN-2-YLMETHYL)PIPERIDINE-4-CARBOXYLATE.cml