Found 32 results

Search term: MF = 'C_{13}H_{19}F_{3}O_{3}'
ChemSpider 2D Image | Ethyl (2S)-2-[(2E)-2-ethylidenecyclohexyl]-3,3,3-trifluoro-2-hydroxypropanoate | C13H19F3O3

Ethyl (2S)-2-[(2E)-2-ethylidenecyclohexyl]-3,3,3-trifluoro-2-hydroxypropanoate

  • Molecular FormulaC13H19F3O3
  • Average mass280.283 Da
  • Monoisotopic mass280.128632 Da
  • ChemSpider ID30651056

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-[(2E)-2-Éthylidènecyclohexyl]-3,3,3-trifluoro-2-hydroxypropanoate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 2-ethylidene-α-hydroxy-α-(trifluoromethyl)-, ethyl ester, (αS,2E)- [ACD/Index Name]
Ethyl (2S)-2-[(2E)-2-ethylidenecyclohexyl]-3,3,3-trifluoro-2-hydroxypropanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-[(2E)-2-ethylidencyclohexyl]-3,3,3-trifluor-2-hydroxypropanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 345.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 162.7±26.5 °C
Index of Refraction: 1.494
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 568.68
ACD/KOC (pH 5.5): 3262.38
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.75
ACD/KOC (pH 7.4): 3257.04
Polar Surface Area: 47 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement