ChemSpider 2D Image | 1-[(3,4-Difluorophenyl)sulfanyl]cyclobutanecarboxylic acid | C11H10F2O2S

1-[(3,4-Difluorophenyl)sulfanyl]cyclobutanecarboxylic acid

  • Molecular FormulaC11H10F2O2S
  • Average mass244.258 Da
  • Monoisotopic mass244.036957 Da
  • ChemSpider ID61982250

More details:

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

1-[(3,4-Difluorophenyl)sulfanyl]cyclobutanecarboxylic acid [ACD/IUPAC Name]
1-[(3,4-Difluorphenyl)sulfanyl]cyclobutancarbonsäure [German] [ACD/IUPAC Name]
Acide 1-[(3,4-difluorophényl)sulfanyl]cyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 1-[(3,4-difluorophenyl)thio]- [ACD/Index Name]
1893884-22-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 370.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 178.1±27.9 °C
Index of Refraction: 1.586
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 172.0±5.0 cm3

Click to predict properties on the Chemicalize site


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