1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

C17H23FN2Si2 — CID 10065252

IUPAC1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C17H23FN2Si2/c1-21(2)11-12-22(3,4)20(21)15-5-6-16(17(18)13-15)14-7-9-19-10-8-14/h5-10,13H,11-12H2,1-4H3
InChIKeyYWYCIYJFHUHQBQ-UHFFFAOYSA-N
MW330.56 g/mol
LogP5.12
Rot. Bonds2

About 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (PubChem CID 10065252) has the molecular formula C17H23FN2Si2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
PubChem CID10065252
Molecular FormulaC17H23FN2Si2
Molecular Weight330.56 g/mol
Exact Mass330.14
IUPAC Name1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C17H23FN2Si2/c1-21(2)11-12-22(3,4)20(21)15-5-6-16(17(18)13-15)14-7-9-19-10-8-14/h5-10,13H,11-12H2,1-4H3
InChIKeyYWYCIYJFHUHQBQ-UHFFFAOYSA-N
XLogP5.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The IUPAC name of 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (CID 10065252) is 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.
What is the SMILES notation for 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The canonical SMILES for 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is C[Si]1(C)CC[Si](C)(C)N1c1ccc(-c2ccncc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The InChIKey is YWYCIYJFHUHQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2Si2/c1-21(2)11-12-22(3,4)20(21)15-5-6-16(17(18)13-15)14-7-9-19-10-8-14/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine has a molecular weight of 330.56 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is sourced from PubChem (CID 10065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).