1-[3-({[(4-Amino-5-Fluoro-2-Methylquinolin-3-Yl)Methyl]Thio}Methyl)Phenyl]-2,2,2-Trifluoroethane-1,1-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C20H18F4N2O2S
IUPAC Name 1-[3-[(4-amino-5-fluoro-2-methyl-3-quinolyl)methylsulfanylmethyl]phenyl]-2,2,2-trifluoro-ethane-1,1-diol
Molecular Mass 426.428 g·mol−1
Heat of Formation -1011.0 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 459.26 Å 3
Surface Area 396.65 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-[(4-amino-5-fluoro-2-methyl-quinolin-3-yl)methylsulfanylmethyl]phenyl]-2,2,2-trifluoro-ethane-1,1-diol
  • 1-[3-[(4-amino-5-fluoro-2-methylquinolin-3-yl)methylsulfanylmethyl]phenyl]-2,2,2-trifluoroethane-1,1-diol
  • 1-[3-[[(4-amino-5-fluoro-2-methyl-3-quinolyl)methylthio]methyl]phenyl]-2,2,2-trifluoro-ethane-1,1-diol
  • 1-[3-[[(4-amino-5-fluoro-2-methyl-3-quinolyl)methylthio]methyl]phenyl]-2,2,2-trifluoroethane-1,1-diol
InChIKey GPBGHVRNVGXPNM-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S