Found 1667 results

Search term: MF = 'C_{13}H_{18}F_{2}N_{2}O_{2}S'
ChemSpider 2D Image | 1-{4-[(Difluoromethyl)sulfonyl]phenyl}-4-methyl-1,4-diazepane | C13H18F2N2O2S

1-{4-[(Difluoromethyl)sulfonyl]phenyl}-4-methyl-1,4-diazepane

  • Molecular FormulaC13H18F2N2O2S
  • Average mass304.356 Da
  • Monoisotopic mass304.105713 Da
  • ChemSpider ID29833972

More details:

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

1-{4-[(Difluormethyl)sulfonyl]phenyl}-4-methyl-1,4-diazepan [German] [ACD/IUPAC Name]
1-{4-[(Difluoromethyl)sulfonyl]phenyl}-4-methyl-1,4-diazepane [ACD/IUPAC Name]
1-{4-[(Difluorométhyl)sulfonyl]phényl}-4-méthyl-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[4-[(difluoromethyl)sulfonyl]phenyl]hexahydro-4-methyl- [ACD/Index 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: 439.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.4±28.7 °C
Index of Refraction: 1.519
Molar Refractivity: 73.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.98
Polar Surface Area: 49 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

Click to predict properties on the Chemicalize site


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