magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide

C63H50BrF9MgN6O4 — CID 159485010

About magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide

magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide (PubChem CID 159485010) has the molecular formula C63H50BrF9MgN6O4 and a molecular weight of 1230.32 g/mol. Its IUPAC name is magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide.

Molecular Properties

• Compound Name: magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide
• PubChem CID: 159485010
• Molecular Formula: C63H50BrF9MgN6O4
• Molecular Weight: 1230.32 g/mol
• Exact Mass: 1228.28
• IUPAC Name: magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide
• SMILES: C1CCOC1.FC(F)(F)C1(c2ccc3c(cnn3-c3ccccc3)c2)CO1.O=C(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.OC(Cc1ccccc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.[Br-].[Mg+2].[c-]1ccccc1
• InChI: InChI=1S/C22H17F3N2O.C16H11F3N2O.C15H9F3N2O.C6H5.C4H8O.BrH.Mg/c23-22(24,25)21(28,14-16-7-3-1-4-8-16)18-11-12-20-17(13-18)15-26-27(20)19-9-5-2-6-10-19;17-16(18,19)15(10-22-15)12-6-7-14-11(8-12)9-20-21(14)13-4-2-1-3-5-13;16-15(17,18)14(21)10-6-7-13-11(8-10)9-19-20(13)12-4-2-1-3-5-12;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-13,15,28H,14H2;1-9H,10H2;1-9H;1-5H;1-4H2;1H;/q;;;-1;;;+2/p-1
• InChIKey: LFGAWSMTRVFUDL-UHFFFAOYSA-M
• XLogP: 11.51
• TPSA: 112.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.32
LogP ≤ 5	11.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide?

The IUPAC name of magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide (CID 159485010) is magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide.

What is the SMILES notation for magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide?

The canonical SMILES for magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide is C1CCOC1.FC(F)(F)C1(c2ccc3c(cnn3-c3ccccc3)c2)CO1.O=C(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.OC(Cc1ccccc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.[Br-].[Mg+2].[c-]1ccccc1.

What is the InChIKey of magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide?

The InChIKey is LFGAWSMTRVFUDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17F3N2O.C16H11F3N2O.C15H9F3N2O.C6H5.C4H8O.BrH.Mg/c23-22(24,25)21(28,14-16-7-3-1-4-8-16)18-11-12-20-17(13-18)15-26-27(20)19-9-5-2-6-10-19;17-16(18,19)15(10-22-15)12-6-7-14-11(8-12)9-20-21(14)13-4-2-1-3-5-13;16-15(17,18)14(21)10-6-7-13-11(8-10)9-19-20(13)12-4-2-1-3-5-12;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-13,15,28H,14H2;1-9H,10H2;1-9H;1-5H;1-4H2;1H;/q;;;-1;;;+2/p-1.

What are the key properties of magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide?

magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide has a molecular weight of 1230.32 g/mol, XLogP of 11.51, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;benzene;oxolane;1-phenyl-5-[2-(trifluoromethyl)oxiran-2-yl]indazole;2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanone;1,1,1-trifluoro-3-phenyl-2-(1-phenylindazol-5-yl)propan-2-ol;bromide is sourced from PubChem (CID 159485010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).