ChemSpider 2D Image | Isopropyl (5E)-7-[2-(3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]-5-heptenoate | C25H34F2O5

Isopropyl (5E)-7-[2-(3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]-5-heptenoate

  • Molecular FormulaC25H34F2O5
  • Average mass452.531 Da
  • Monoisotopic mass452.237427 Da
  • ChemSpider ID44211139

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-7-[2-(3,3-Difluoro-4-phénoxy-1-butén-1-yl)-3,5-dihydroxycyclopentyl]-5-hepténoate d'isopropyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[2-(3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5E)- [ACD/Index Name]
Isopropyl (5E)-7-[2-(3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]-5-heptenoate [ACD/IUPAC Name]
Isopropyl-(5E)-7-[2-(3,3-difluor-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]-5-heptenoat [German] [ACD/IUPAC Name]
209860-87-7 [RN]
MFCD08062150
Tafluprost [INN] [USAN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 987.32
ACD/KOC (pH 5.5): 4842.10
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 987.32
ACD/KOC (pH 7.4): 4842.10
Polar Surface Area: 76 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

Click to predict properties on the Chemicalize site


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