[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane

C₅₀H₅₁F₇N₄O₂Si₂ — CID 161091821

About [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane

[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane (PubChem CID 161091821) has the molecular formula C₅₀H₅₁F₇N₄O₂Si₂ and a molecular weight of 929.14 g/mol. Its IUPAC name is [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane.

Molecular Properties

• Compound Name: [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane
• PubChem CID: 161091821
• Molecular Formula: C₅₀H₅₁F₇N₄O₂Si₂
• Molecular Weight: 929.14 g/mol
• Exact Mass: 928.34
• IUPAC Name: [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane
• SMILES: C.[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[C-]#[N+][C@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1
• InChI: InChI=1S/C25H25F3N2OSi.C24H22F4N2OSi.CH4/c1-17-7-10-19(11-8-17)20-12-14-23(30-16-20)24(27,28)25(29-3,31-32(4,5)6)21-13-9-18(2)15-22(21)26;1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26;/h7-16H,1-2,4-6H3;6-15H,1,3-5H3;1H4/t25-;24-;/m10./s1
• InChIKey: UHGVLDOZLLDEKU-KYEMGXKZSA-N
• XLogP: 14.91
• TPSA: 52.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.14
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane?

The IUPAC name of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane (CID 161091821) is [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane.

What is the SMILES notation for [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane?

The canonical SMILES for [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane is C.[C-]#[N+][C@@](O[Si](C)(C)C)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[C-]#[N+][C@](O[Si](C)(C)C)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.

What is the InChIKey of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane?

The InChIKey is UHGVLDOZLLDEKU-KYEMGXKZSA-N. The full InChI is InChI=1S/C25H25F3N2OSi.C24H22F4N2OSi.CH4/c1-17-7-10-19(11-8-17)20-12-14-23(30-16-20)24(27,28)25(29-3,31-32(4,5)6)21-13-9-18(2)15-22(21)26;1-16-6-8-17(9-7-16)18-10-13-22(30-15-18)23(27,28)24(29-2,31-32(3,4)5)20-12-11-19(25)14-21(20)26;/h7-16H,1-2,4-6H3;6-15H,1,3-5H3;1H4/t25-;24-;/m10./s1.

What are the key properties of [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane?

[(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane has a molecular weight of 929.14 g/mol, XLogP of 14.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2,2-difluoro-1-(2-fluoro-4-methylphenyl)-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;[(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-1-isocyano-2-[5-(4-methylphenyl)-2-pyridinyl]ethoxy]-trimethylsilane;methane is sourced from PubChem (CID 161091821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161091821 — identifiers, structure, computed properties (public domain)

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