954232-85-0
3-(3-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-(3-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-(3-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09862202
【English Synonyms】
【Formula】
C15 H18 F3 N O3
【MolWeight】
317.305
【Inchi】
InChI=1S/C15H18F3NO3/c1-14(2,3)22-13(20)19-8-12(9-19)21-11-6-4-5-10(7-11)15(16,17)18/h4-7,12H,8-9H2,1-3H3
【InChIKey】
InChIKey=YCAODWMJVJAXEZ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC(C1)Oc2cccc(c2)C(F)(F)F
【MOL File】
3-(3-TRIFLUOROMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml