Efinaconazole

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Properties Simple | Detailed

Formula C18H22F2N4O
IUPAC Name (2r,3r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)butan-2-ol
Molecular Mass 348.390 g·mol−1
Heat of Formation -253.8 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 414.43 Å 3
Surface Area 333.74 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2r, 3r)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidyl)-1-(1,2,4-triazolyl)butan-2-ol
  • (2r,3r)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • (2r,3r)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • (2r,3r)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • kp-103
InChIKey NFEZZTICAUWDHU-RDTXWAMCSA-N
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