(2S,4S)-2-Fluoro-4-(2-Methyl-2-Propanyl)Cyclohexanone

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Properties Simple | Detailed

Formula C10H17FO
IUPAC Name (2s,4s)-4-tert-butyl-2-fluoro-cyclohexanone
Molecular Mass 172.240 g·mol−1
Heat of Formation -512.5 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 226.19 Å 3
Surface Area 206.1 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 3.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-4-tert-butyl-2-fluoro-1-cyclohexanone
  • (2s,4s)-4-tert-butyl-2-fluoro-cyclohexan-1-one
  • (2s,4s)-4-tert-butyl-2-fluorocyclohexan-1-one
InChIKey FDEQGSUXDUOCAO-YUMQZZPRSA-N
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Elements H C O F