954232-93-0
3-(4-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-(4-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
pro_formulaC15 H18 F3 N O3
1Identification
【Name】
3-(4-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09862204
【EnglishSynonyms】
【pro_formula】
C15 H18 F3 N O3
【pro_molWeight】
317.305
【Inchi】
InChI=1S/C15H18F3NO3/c1-14(2,3)22-13(20)19-8-12(9-19)21-11-6-4-10(5-7-11)15(16,17)18/h4-7,12H,8-9H2,1-3H3
【InChIKey】
InChIKey=HLHYSIQDLIHWNV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC(C1)Oc2ccc(cc2)C(F)(F)F
【MOL File】
3-(4-TRIFLUOROMETHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(4-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml