5-(Trifluoromethyl)Uracil

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Properties Simple | Detailed

Formula C5H3F3N2O2
IUPAC Name 5-(trifluoromethyl)-1h-pyrimidine-2,4-dione
Molecular Mass 180.085 g·mol−1
Heat of Formation -972.8 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 165.08 Å 3
Surface Area 166.09 Å 2
HOMO Energy -10.83 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-(trifluoromethyl)-
  • 2,4(1h,3h)-pyrimidinedione, 5-(trifluoromethyl)- (9ci)
  • 5-(trifluoromethyl)-1h-pyrimidine-2,4-dione
  • 5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione
  • 5-tfmu
  • 5-trifluoromethyluracil
  • l 595725-0-1
  • sr-01000639984-1
  • tft
  • trifluoromethyluracil
  • trifluorothymine
  • uracil, 5-(trifluoromethyl)-
CAS Number(s)
  • 54-20-6
InChIKey LMNPKIOZMGYQIU-UHFFFAOYSA-N
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