ChemSpider 2D Image | (2E)-3-(3-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)acrylonitrile | C21H15F2N3O4

(2E)-3-(3-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)acrylonitrile

  • Molecular FormulaC21H15F2N3O4
  • Average mass411.358 Da
  • Monoisotopic mass411.103058 Da
  • ChemSpider ID28478253

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(3-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)éthoxy]-4-fluorophénoxy}-5-fluorophényl)acrylonitrile [French] [ACD/IUPAC Name]
(2E)-3-(3-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]-4-fluorphenoxy}-5-fluorphenyl)acrylonitril [German] [ACD/IUPAC Name]
(2e)-3-(3-{2-[2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)ethoxy]-4-Fluorophenoxy}-5-Fluorophenyl)prop-2-Enenitrile
2-Propenenitrile, 3-[3-[2-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)ethoxy]-4-fluorophenoxy]-5-fluorophenyl]-, (2E)- [ACD/Index Name]

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

506 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 28.99
ACD/KOC (pH 5.5): 387.53
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.80
ACD/KOC (pH 7.4): 384.95
Polar Surface Area: 92 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

Click to predict properties on the Chemicalize site


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