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Search term: XKXZICPLIDCSIS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(2,3-Difluorobenzyl)amino]-1,3-propanediol | C10H13F2NO2

2-[(2,3-Difluorobenzyl)amino]-1,3-propanediol

  • Molecular FormulaC10H13F2NO2
  • Average mass217.212 Da
  • Monoisotopic mass217.091431 Da
  • ChemSpider ID32038926

More details:

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

1,3-Propanediol, 2-[[(2,3-difluorophenyl)methyl]amino]- [ACD/Index Name]
2-[(2,3-Difluorbenzyl)amino]-1,3-propandiol [German] [ACD/IUPAC Name]
2-[(2,3-Difluorobenzyl)amino]-1,3-propanediol [ACD/IUPAC Name]
2-[(2,3-Difluorobenzyl)amino]-1,3-propanediol [French] [ACD/IUPAC Name]
1494087-14-7 [RN]
2-{[(2,3-difluorophenyl)methyl]amino}propane-1,3-diol
MFCD20958750

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 368.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.4±26.5 °C
Index of Refraction: 1.528
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 39.59
Polar Surface Area: 52 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 167.9±3.0 cm3

Click to predict properties on the Chemicalize site


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