ChemSpider 2D Image | JNJ-40418677 | C26H22F6O2

JNJ-40418677

  • Molecular FormulaC26H22F6O2
  • Average mass480.442 Da
  • Monoisotopic mass480.152405 Da
  • ChemSpider ID28663858

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[4,4''-Bis(trifluormethyl)-1,1':3',1''-terphenyl-5'-yl]-4-methylpentansäure [German] [ACD/IUPAC Name]
(2S)-2-[4,4''-Bis(trifluoromethyl)-1,1':3',1''-terphenyl-5'-yl]-4-methylpentanoic acid [ACD/IUPAC Name]
[1,1':3',1''-Terphenyl]-5'-acetic acid, α-(2-methylpropyl)-4,4''-bis(trifluoromethyl)-, (αS)- [ACD/Index Name]
1146594-87-7 [RN]
Acide (2S)-2-[4,4''-bis(trifluorométhyl)-1,1':3',1''-terphényl-5'-yl]-4-méthylpentanoïque [French] [ACD/IUPAC Name]
JNJ-40418677
[1146594-87-7] [RN]
2-(S)-(3,5-Bis(4-(trifluoromethyl)phenyl)phenyl)-4-methylpentanoic acid
554431-74-2 [RN]
JNJ-17148066
More...

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

Z1CWW31SGG [DBID]
UNII:Z1CWW31SGG [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.2±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 47938.20
ACD/KOC (pH 5.5): 33050.24
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 806.41
ACD/KOC (pH 7.4): 555.97
Polar Surface Area: 37 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 381.6±3.0 cm3

Click to predict properties on the Chemicalize site


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