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[ CAS No. 2923-18-4 ] {[proInfo.proName]}

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Chemical Structure| 2923-18-4
Chemical Structure| 2923-18-4
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Product Details of [ 2923-18-4 ]

CAS No. :2923-18-4 MDL No. :MFCD00013217
Formula : C2F3NaO2 Boiling Point : -
Linear Structure Formula :- InChI Key :UYCAUPASBSROMS-UHFFFAOYSA-M
M.W : 136.01 Pubchem ID :517019
Synonyms :

Calculated chemistry of [ 2923-18-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 11.75
TPSA : 40.13 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : -7.91
Log Po/w (XLOGP3) : 0.91
Log Po/w (WLOGP) : 0.56
Log Po/w (MLOGP) : 0.27
Log Po/w (SILICOS-IT) : 0.93
Consensus Log Po/w : -1.05

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.19
Solubility : 8.77 mg/ml ; 0.0645 mol/l
Class : Very soluble
Log S (Ali) : -1.34
Solubility : 6.24 mg/ml ; 0.0459 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.08
Solubility : 112.0 mg/ml ; 0.826 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 2923-18-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2923-18-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 2923-18-4 ]
  • Downstream synthetic route of [ 2923-18-4 ]

[ 2923-18-4 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 109-04-6 ]
  • [ 2923-18-4 ]
  • [ 368-48-9 ]
Reference: [1] Chemistry Letters, 1981, p. 1719 - 1720
  • 2
  • [ 2923-18-4 ]
  • [ 4595-60-2 ]
  • [ 116470-67-8 ]
Reference: [1] Journal of Organic Chemistry, 2015, vol. 80, # 5, p. 2676 - 2699
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988, p. 921 - 926
  • 3
  • [ 2923-18-4 ]
  • [ 104-87-0 ]
  • [ 446-65-1 ]
Reference: [1] Journal of Fluorine Chemistry, 2005, vol. 126, # 6, p. 937 - 940
[2] Tetrahedron Letters, 2005, vol. 46, # 18, p. 3161 - 3164
  • 4
  • [ 7745-93-9 ]
  • [ 2923-18-4 ]
  • [ 89976-12-5 ]
Reference: [1] Patent: EP1840122, 2007, A1, . Location in patent: Page/Page column 12-13
  • 5
  • [ 2923-18-4 ]
  • [ 2966-50-9 ]
YieldReaction ConditionsOperation in experiment
1.5 g at 20℃; 3.4 g of sodium trifluoroacetate was dissolved in 6 g of water to prepare an aqueous solution. An aqueous solution prepared by dissolving 3.39 g of silver nitrate in 3 g of water was added thereto at room temperature. The resulting aqueous solution was extracted 10 times with 5 ml of diethyl ether and the combined extracts were dried over anhydrous magnesium sulfate. The magnesium sulfate was filtered off and the ether solution was concentrated on a rotary evaporator to precipitate a white solid. Further, the mixture was dried by heating on a rotary evaporator under reduced pressure at 50 ° C. for 2 hours to obtain 1.5 g of a white powder of silver trifluoroacetate.
Reference: [1] Patent: JP2018/52831, 2018, A, . Location in patent: Paragraph 0060
  • 6
  • [ 138490-95-6 ]
  • [ 2923-18-4 ]
  • [ 138490-96-7 ]
Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 3, p. 466 - 479
[2] Tetrahedron Letters, 2004, vol. 45, # 13, p. 2731 - 2733
[3] Patent: US2004/15015, 2004, A1, . Location in patent: Page 9-10
  • 7
  • [ 112220-68-5 ]
  • [ 2923-18-4 ]
  • [ 75-05-8 ]
  • [ 72287-26-4 ]
  • [ 494829-03-7 ]
  • [ 494828-93-2 ]
Reference: [1] Journal of Organometallic Chemistry, 2002, vol. 658, # 1-2, p. 159 - 168
  • 8
  • [ 51934-41-9 ]
  • [ 2923-18-4 ]
  • [ 898787-14-9 ]
Reference: [1] Organic and Biomolecular Chemistry, 2018, vol. 16, # 6, p. 913 - 918
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