(S)-Cyano(3-Phenoxyphenyl)Methyl 3-{(1Z)-3-[(1,1,1,3,3,3-Hexafluoro-2-Propanyl)Oxy]-3-Oxo-1-Propen-1-Yl}-2,2-Dimethylcyclopropanecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H21F6NO5
IUPAC Name [(s)-cyano-[3-(phenoxy)benzene-4-id-1-yl]methyl] (1r,3r)-2,2-dimethyl-3-[(e)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-enyl]cyclopropanecarboxylate
Molecular Mass 541.439 g·mol−1
Heat of Formation -121.1 ± 16.7 kJ·mol−1
Dipole Moment 12.12 ± 1.08 D
Volume 582.47 Å 3
Surface Area 449.64 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -3.98 ± eV
Point Group Symmetry C1
InChIKey YLFSVIMMRPNPFK-SFKSTPLFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F