ChemSpider 2D Image | (Benzylamino)[4-(trifluoromethyl)phenyl]acetic acid | C16H14F3NO2

(Benzylamino)[4-(trifluoromethyl)phenyl]acetic acid

  • Molecular FormulaC16H14F3NO2
  • Average mass309.283 Da
  • Monoisotopic mass309.097656 Da
  • ChemSpider ID26053429

More details:

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

(Benzylamino)[4-(trifluormethyl)phenyl]essigsäure [German] [ACD/IUPAC Name]
(Benzylamino)[4-(trifluoromethyl)phenyl]acetic acid [ACD/IUPAC Name]
1251922-78-7 [RN]
2-(benzylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
Acide (benzylamino)[4-(trifluorométhyl)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(phenylmethyl)amino]-4-(trifluoromethyl)- [ACD/Index Name]
MFCD16547706 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 400.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 196.2±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 7.84
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 49 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 237.2±3.0 cm3

Click to predict properties on the Chemicalize site


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