ChemSpider 2D Image | (5Z)-7-{2-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid | C22H28F2O5

(5Z)-7-{2-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid

  • Molecular FormulaC22H28F2O5
  • Average mass410.452 Da
  • Monoisotopic mass410.190491 Da
  • ChemSpider ID21467507
  • Double-bond stereo - Double-bond stereo


More details:






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

(5Z)-7-{2-[(1E)-3,3-Difluor-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{2-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
5-Heptenoic acid, 7-[2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{2-[(1E)-3,3-difluoro-4-phénoxy-1-butén-1-yl]-3,5-dihydroxycyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(5Z)-7-{2-[(1E)-3,3-difluoro-4-phenoxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoic acid
209860-88-8 [RN]
Tafluprost (free acid)
Tafluprost free acid
Tafluprost(freeacid)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 302.1±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 15.90
ACD/KOC (pH 5.5): 148.13
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 87 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 322.8±3.0 cm3

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