ChemSpider 2D Image | (2R)-2-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol | C24H20F6N6O2

(2R)-2-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol

  • Molecular FormulaC24H20F6N6O2
  • Average mass538.445 Da
  • Monoisotopic mass538.155212 Da
  • ChemSpider ID4946334
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol [ACD/IUPAC Name]
(2R)-2-(2,4-Difluorophényl)-1-(3-{(E)-2-[4-(2,2,3,3-tétrafluoropropoxy)phényl]vinyl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol [French] [ACD/IUPAC Name]
(2R)-2-(2,4-Difluorphenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluorpropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol [German] [ACD/IUPAC Name]
149715-95-7 [RN]
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR)- [ACD/Index Name]
(+)-(R)-2-(2,4-Difluorophenyl)-1-[3-[(E)-4-(2,2,3,3-tetrafluoropropoxy)styryl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
(2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
(2R)-2-(2,4-difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
(R,E)-2-(2,4-Difluorophenyl)-1-(3-(4-(2,2,3,3-tetrafluoropropoxy)styryl)-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
141113-28-2 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D-0870 [DBID]
TIR28072AV [DBID]
AIDS029916 [DBID]
AIDS-029916 [DBID]
M-16354 [DBID]
UNII:TIR28072AV [DBID]
UNII-TIR28072AV [DBID]
ZD-0870 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 723.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.1±35.7 °C
Index of Refraction: 1.582
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.59
ACD/KOC (pH 5.5): 3380.77
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 600.74
ACD/KOC (pH 7.4): 3392.91
Polar Surface Area: 91 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 376.6±7.0 cm3

Click to predict properties on the Chemicalize site






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