magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide

C94H69BrF16MgN8O10 — CID 159669668

About magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide

magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide (PubChem CID 159669668) has the molecular formula C94H69BrF16MgN8O10 and a molecular weight of 1878.81 g/mol. Its IUPAC name is magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide.

Molecular Properties

• Compound Name: magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide
• PubChem CID: 159669668
• Molecular Formula: C94H69BrF16MgN8O10
• Molecular Weight: 1878.81 g/mol
• Exact Mass: 1876.39
• IUPAC Name: magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide
• SMILES: Fc1cc[c-]cc1C1OCCCO1.O=C(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.O=Cc1cc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)ccc1F.OC(c1ccc(F)c(C2OCCCO2)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.OCc1cc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)ccc1F.[Br-].[Mg+2]
• InChI: InChI=1S/C25H20F4N2O3.C22H16F4N2O2.C22H14F4N2O2.C15H9F3N2O.C10H10FO2.BrH.Mg/c26-21-9-7-18(14-20(21)23-33-11-4-12-34-23)24(32,25(27,28)29)17-8-10-22-16(13-17)15-30-31(22)19-5-2-1-3-6-19;2*23-19-8-6-16(11-15(19)13-29)21(30,22(24,25)26)17-7-9-20-14(10-17)12-27-28(20)18-4-2-1-3-5-18;16-15(17,18)14(21)10-6-7-13-11(8-10)9-19-20(13)12-4-2-1-3-5-12;11-9-5-2-1-4-8(9)10-12-6-3-7-13-10;;/h1-3,5-10,13-15,23,32H,4,11-12H2;1-12,29-30H,13H2;1-13,30H;1-9H;2,4-5,10H,3,6-7H2;1H;/q;;;;-1;;+2/p-1
• InChIKey: YBTPTLCYSKJDFN-UHFFFAOYSA-M
• XLogP: 17.08
• TPSA: 223.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.81
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide?

The IUPAC name of magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide (CID 159669668) is magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide.

What is the SMILES notation for magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide?

The canonical SMILES for magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide is Fc1cc[c-]cc1C1OCCCO1.O=C(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.O=Cc1cc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)ccc1F.OC(c1ccc(F)c(C2OCCCO2)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.OCc1cc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)ccc1F.[Br-].[Mg+2].

What is the InChIKey of magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide?

The InChIKey is YBTPTLCYSKJDFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20F4N2O3.C22H16F4N2O2.C22H14F4N2O2.C15H9F3N2O.C10H10FO2.BrH.Mg/c26-21-9-7-18(14-20(21)23-33-11-4-12-34-23)24(32,25(27,28)29)17-8-10-22-16(13-17)15-30-31(22)19-5-2-1-3-6-19;2*23-19-8-6-16(11-15(19)13-29)21(30,22(24,25)26)17-7-9-20-14(10-17)12-27-28(20)18-4-2-1-3-5-18;16-15(17,18)14(21)10-6-7-13-11(8-10)9-19-20(13)12-4-2-1-3-5-12;11-9-5-2-1-4-8(9)10-12-6-3-7-13-10;;/h1-3,5-10,13-15,23,32H,4,11-12H2;1-12,29-30H,13H2;1-13,30H;1-9H;2,4-5,10H,3,6-7H2;1H;/q;;;;-1;;+2/p-1.

What are the key properties of magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide?

magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide has a molecular weight of 1878.81 g/mol, XLogP of 17.08, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol;2-(2-fluorobenzene-5-id-1-yl)-1,3-dioxane;2-fluoro-5-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]benzaldehyde;2,2,2-trifluoro-1-[4-fluoro-3-(hydroxymethyl)phenyl]-1-(1-phenylindazol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;bromide is sourced from PubChem (CID 159669668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).