2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde

C18H24FNO2Si — CID 91348202

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCC1CN(c2cc(F)c(C#C[Si](C)(C)C)cc2C=O)CC(C)O1
InChIInChI=1S/C18H24FNO2Si/c1-13-10-20(11-14(2)22-13)18-9-17(19)15(8-16(18)12-21)6-7-23(3,4)5/h8-9,12-14H,10-11H2,1-5H3
InChIKeySAEGQLGXSXIRAM-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.48
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde

2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde (PubChem CID 91348202) has the molecular formula C18H24FNO2Si and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde
PubChem CID91348202
Molecular FormulaC18H24FNO2Si
Molecular Weight333.48 g/mol
Exact Mass333.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCC1CN(c2cc(F)c(C#C[Si](C)(C)C)cc2C=O)CC(C)O1
InChIInChI=1S/C18H24FNO2Si/c1-13-10-20(11-14(2)22-13)18-9-17(19)15(8-16(18)12-21)6-7-23(3,4)5/h8-9,12-14H,10-11H2,1-5H3
InChIKeySAEGQLGXSXIRAM-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde (CID 91348202) is 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde is CC1CN(c2cc(F)c(C#C[Si](C)(C)C)cc2C=O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde?
The InChIKey is SAEGQLGXSXIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2Si/c1-13-10-20(11-14(2)22-13)18-9-17(19)15(8-16(18)12-21)6-7-23(3,4)5/h8-9,12-14H,10-11H2,1-5H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde?
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde has a molecular weight of 333.48 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde is sourced from PubChem (CID 91348202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).