tert-butyl 4-fluoranylbenzoate; prop-2-yn-1-amine

Systemtic Name: tert-butyl 4-fluoranylbenzoate; prop-2-yn-1-amine Openeye Name: tert-butyl 4-fluorobenzoate; prop-2-yn-1-amine CAS Name: 4-fluorobenzoic acid tert-butyl ester; 2-propyn-1-amine IUPAC Name: tert-butyl 4-fluorobenzoate; prop-2-yn-1-amine Traditional Name: 4-fluorobenzoic acid tert-butyl ester; propargylamine Formula: C14H18FNO2 MolecularWeight: 251.296623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)F.C#CCN

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)F.C#CCN

InChI

InChI=1S/C11H13FO2.C3H5N/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;1-2-3-4/h4-7H,1-3H3;1H,3-4H2