ChemSpider 2D Image | (S)-4-(benzyloxy)-3,3-difluorotetrahydrothiophene | C11H12F2OS

(S)-4-(benzyloxy)-3,3-difluorotetrahydrothiophene

  • Molecular FormulaC11H12F2OS
  • Average mass230.274 Da
  • Monoisotopic mass230.057693 Da
  • ChemSpider ID24775931

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(Benzyloxy)-3,3-difluorotetrahydrothiophene [ACD/IUPAC Name]
(4S)-4-(Benzyloxy)-3,3-difluorotétrahydrothiophène [French] [ACD/IUPAC Name]
(4S)-4-(Benzyloxy)-3,3-difluortetrahydrothiophen [German] [ACD/IUPAC Name]
(S)-4-(benzyloxy)-3,3-difluorotetrahydrothiophene
Thiophene, 3,3-difluorotetrahydro-4-(phenylmethoxy)-, (4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 301.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 136.1±27.9 °C
Index of Refraction: 1.537
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.34
ACD/KOC (pH 5.5): 700.89
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.34
ACD/KOC (pH 7.4): 700.89
Polar Surface Area: 35 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 185.2±5.0 cm3

Click to predict properties on the Chemicalize site


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