ChemSpider 2D Image | (3Z)-1-[(3-Methyl-1-piperidinyl)methyl]-3-{[4-(trifluoromethoxy)phenyl]imino}-1,3-dihydro-2H-indol-2-one | C22H22F3N3O2

(3Z)-1-[(3-Methyl-1-piperidinyl)methyl]-3-{[4-(trifluoromethoxy)phenyl]imino}-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC22H22F3N3O2
  • Average mass417.424 Da
  • Monoisotopic mass417.166412 Da
  • ChemSpider ID22827924

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-1-[(3-Methyl-1-piperidinyl)methyl]-3-{[4-(trifluormethoxy)phenyl]imino}-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3Z)-1-[(3-Methyl-1-piperidinyl)methyl]-3-{[4-(trifluoromethoxy)phenyl]imino}-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3Z)-1-[(3-Méthyl-1-pipéridinyl)méthyl]-3-{[4-(trifluorométhoxy)phényl]imino}-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 1,3-dihydro-1-[(3-methyl-1-piperidinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]imino]-, (3Z)- [ACD/Index Name]
(3Z)-1-[(3-methylpiperidin-1-yl)methyl]-3-{[4-(trifluoromethoxy)phenyl]imino}-1,3-dihydro-2H-indol-2-one
(3Z)-1-[(3-METHYLPIPERIDIN-1-YL)METHYL]-3-{[4-(TRIFLUOROMETHOXY)PHENYL]IMINO}INDOL-2-ONE
1-(3-Methyl-piperidin-1-ylmethyl)-3-(4-trifluoromethoxy-phenylimino)-1,3-dihydro-indol-2-one
1-[(3-methylpiperidin-1-yl)methyl]-3-{[4-(trifluoromethoxy)phenyl]imino}-1,3-dihydro-2H-indol-2-one
1-[(3-methylpiperidyl)methyl]-3-{[4-(trifluoromethoxy)phenyl]azamethylene}benzo[d]azolin-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.9±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 13.22
ACD/KOC (pH 5.5): 46.65
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 674.36
ACD/KOC (pH 7.4): 2379.57
Polar Surface Area: 45 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 315.7±7.0 cm3

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