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

7-[2-(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 ID26458449

More details:

Date of deprecation: 13:02, Oct 22, 2013
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

209860-88-8 [RN]
5-Heptenoic acid, 7-[2-(3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]- [ACD/Index Name]
7-[2-(3,3-Difluor-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]-5-heptensäure [German] [ACD/IUPAC Name]
7-[2-(3,3-Difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl]-5-heptenoic acid [ACD/IUPAC Name]
Acide 7-[2-(3,3-difluoro-4-phénoxy-1-butén-1-yl)-3,5-dihydroxycyclopentyl]-5-hepténoïque [French] [ACD/IUPAC Name]

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: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 12.83
ACD/KOC (pH 5.5): 129.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
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

Click to predict properties on the Chemicalize site

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