ChemSpider 2D Image | (1S)-1-Phenyl-1-[3-(trifluoromethyl)phenyl]-1-propanol | C16H15F3O

(1S)-1-Phenyl-1-[3-(trifluoromethyl)phenyl]-1-propanol

  • Molecular FormulaC16H15F3O
  • Average mass280.285 Da
  • Monoisotopic mass280.107513 Da
  • ChemSpider ID32796758

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Phenyl-1-[3-(trifluormethyl)phenyl]-1-propanol [German] [ACD/IUPAC Name]
(1S)-1-Phenyl-1-[3-(trifluoromethyl)phenyl]-1-propanol [ACD/IUPAC Name]
(1S)-1-Phényl-1-[3-(trifluorométhyl)phényl]-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-ethyl-α-phenyl-3-(trifluoromethyl)-, (αS)- [ACD/Index Name]
260-176-1 [EINECS]
56430-99-0 [RN]
Flumecinol [INN]
UNII-JB0YA8LDOW

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

Density: 1.2±0.1 g/cm3
Boiling Point: 332.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 136.8±17.5 °C
Index of Refraction: 1.519
Molar Refractivity: 70.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 468.69
ACD/KOC (pH 5.5): 2840.70
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 468.69
ACD/KOC (pH 7.4): 2840.70
Polar Surface Area: 20 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

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