[(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

C49H47F7N4O2Si2 — CID 158232253

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

[(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 (PubChem CID 158232253) has the molecular formula C49H47F7N4O2Si2 and a molecular weight of 913.10 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.

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
• PubChem CID: 158232253
• Molecular Formula: C49H47F7N4O2Si2
• Molecular Weight: 913.10 g/mol
• Exact Mass: 912.31
• 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
• SMILES: [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/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/t25-;24-/m10/s1
• InChIKey: GENDEBFDJIZNGE-ZWZBXAQTSA-N
• XLogP: 14.27
• TPSA: 52.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.10
LogP ≤ 5	14.27
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?

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 (CID 158232253) 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.

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?

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 is [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?

The InChIKey is GENDEBFDJIZNGE-ZWZBXAQTSA-N. The full InChI is InChI=1S/C25H25F3N2OSi.C24H22F4N2OSi/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/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?

[(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 has a molecular weight of 913.10 g/mol, XLogP of 14.27, 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 is sourced from PubChem (CID 158232253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).