2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride

C18H29FN2OSi2 — CID 154620208

IUPAC2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride
SMILES[H]/N=C(\F)c1cc(C#C[Si](C)(C)C)ccc1NCOCC[Si](C)(C)C
InChIInChI=1S/C18H29FN2OSi2/c1-23(2,3)11-9-15-7-8-17(16(13-15)18(19)20)21-14-22-10-12-24(4,5)6/h7-8,13,20-21H,10,12,14H2,1-6H3/b20-18-
InChIKeyVIIWMBXNMHBCIP-ZZEZOPTASA-N
MW364.61 g/mol
LogP4.93
Rot. Bonds7

About 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride

2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride (PubChem CID 154620208) has the molecular formula C18H29FN2OSi2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride.

Molecular Properties

Compound Name2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride
PubChem CID154620208
Molecular FormulaC18H29FN2OSi2
Molecular Weight364.61 g/mol
Exact Mass364.18
IUPAC Name2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride
SMILES[H]/N=C(\F)c1cc(C#C[Si](C)(C)C)ccc1NCOCC[Si](C)(C)C
InChIInChI=1S/C18H29FN2OSi2/c1-23(2,3)11-9-15-7-8-17(16(13-15)18(19)20)21-14-22-10-12-24(4,5)6/h7-8,13,20-21H,10,12,14H2,1-6H3/b20-18-
InChIKeyVIIWMBXNMHBCIP-ZZEZOPTASA-N
XLogP4.93
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride?
The IUPAC name of 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride (CID 154620208) is 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride.
What is the SMILES notation for 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride?
The canonical SMILES for 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride is [H]/N=C(\F)c1cc(C#C[Si](C)(C)C)ccc1NCOCC[Si](C)(C)C.
What is the InChIKey of 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride?
The InChIKey is VIIWMBXNMHBCIP-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H29FN2OSi2/c1-23(2,3)11-9-15-7-8-17(16(13-15)18(19)20)21-14-22-10-12-24(4,5)6/h7-8,13,20-21H,10,12,14H2,1-6H3/b20-18-.
What are the key properties of 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride?
2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride has a molecular weight of 364.61 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethoxymethylamino)-5-(2-trimethylsilylethynyl)benzenecarboximidoyl fluoride is sourced from PubChem (CID 154620208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).