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Pregn-4-ene-3,20-dione, 6-alpha-fluoro-

  • Name Pregn-4-ene-3,20-dione, 6-alpha-fluoro-
  • EINECSN/A
  • CAS No. 2300-03-0
  • Density1.12 g/cm3
  • PSA34.14000
  • LogP4.67150
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC21H29FO2
  • Boiling Point449.3 °C at 760 mmHg
  • Molecular Weight332.458
  • Flash Point169.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 2300-03-0 (6α-Fluoropregn-4-ene-3,20-dione)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data12

Pregn-4-ene-3,20-dione, 6-alpha-fluoro- Specification

 The Pregn-4-ene-3,20-dione, 6-alpha-fluoro-, with the CAS registry number 2300-03-0, is also known as 6α-Fluoroprogesterone. This chemical's molecular formula is C21H29FO2 and molecular weight is 332.45. What's more, its systematic name is (6α)-6-fluoropregn-4-ene-3,20-dione. Its classification codes are: Hormone, Reproductive Effect.

Physical properties of Pregn-4-ene-3,20-dione, 6-alpha-fluoro- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 91.05 cm3; (9)Molar Volume: 294.5 cm3; (10)Polarizability: 36.09×10-24cm3; (11)Surface Tension: 39.6 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 169.7 °C; (14)Enthalpy of Vaporization: 70.79 kJ/mol; (15)Boiling Point: 449.3 °C at 760 mmHg; (16)Vapour Pressure: 2.9E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1C[C@@H]2F)C)(C)CC4
(2)Std. InChI: InChI=1S/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1
(3)Std. InChIKey: UZROOFLUFHWOJQ-ADDDSGAWSA-N

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