2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide

C13H20FNO3Si — CID 19043704

IUPAC2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc(O[Si](C)(C)C)c(F)c1
InChIInChI=1S/C13H20FNO3Si/c1-15(17-2)13(16)9-10-6-7-12(11(14)8-10)18-19(3,4)5/h6-8H,9H2,1-5H3
InChIKeyYDKOXGXRYCTKLM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide

2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide (PubChem CID 19043704) has the molecular formula C13H20FNO3Si and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
PubChem CID19043704
Molecular FormulaC13H20FNO3Si
Molecular Weight285.39 g/mol
Exact Mass285.12
IUPAC Name2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc(O[Si](C)(C)C)c(F)c1
InChIInChI=1S/C13H20FNO3Si/c1-15(17-2)13(16)9-10-6-7-12(11(14)8-10)18-19(3,4)5/h6-8H,9H2,1-5H3
InChIKeyYDKOXGXRYCTKLM-UHFFFAOYSA-N
XLogP2.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide (CID 19043704) is 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1ccc(O[Si](C)(C)C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide?
The InChIKey is YDKOXGXRYCTKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3Si/c1-15(17-2)13(16)9-10-6-7-12(11(14)8-10)18-19(3,4)5/h6-8H,9H2,1-5H3.
What are the key properties of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide?
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide has a molecular weight of 285.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 19043704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).