1,1-Dimethylethyl N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]carbamate

CAS Registry Number®

1172623-96-9

CAS Name

1,1-Dimethylethyl N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]carbamate

Molecular Formula

C16H17F2NO3

Molecular Mass

309.31

Cite this Page

1,1-Dimethylethyl N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]carbamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1172623-96-9 (retrieved 2024-12-02) (CAS RN: 1172623-96-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H17F2NO3/c1-5-6-13(19-15(21)22-16(2,3)4)14(20)11-9-10(17)7-8-12(11)18/h1,7-9,13H,6H2,2-4H3,(H,19,21)

InChIKey

InChIKey=FCPUEOMVOKWZQD-UHFFFAOYSA-N

SMILES

C(C(NC(OC(C)(C)C)=O)CC#C)(=O)C1=C(F)C=CC(F)=C1

Canonical SMILES

O=C(OC(C)(C)C)NC(C(=O)C1=CC(F)=CC=C1F)CC#C

Other Names for this Substance

  • Carbamic acid, N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]carbamate
  • tert-Butyl [1-(2,5-difluorophenyl)-1-oxo-4-pentyn-2-yl]carbamate

CAS INSIGHTSTM
Hourglass and a clock