tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane

C23H31ClFNOSi — CID 160538172

IUPACtert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane
SMILESC=C(C)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C23H31ClFNOSi/c1-15(2)20-13-17(23(6,7)27-28(8,9)22(3,4)5)14-21(26-20)16-10-11-19(25)18(24)12-16/h10-14H,1H2,2-9H3
InChIKeyPSTNVTKNEKXPCP-UHFFFAOYSA-N
MW420.04 g/mol
LogP7.83
Rot. Bonds5

About tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane

tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane (PubChem CID 160538172) has the molecular formula C23H31ClFNOSi and a molecular weight of 420.04 g/mol. Its IUPAC name is tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane
PubChem CID160538172
Molecular FormulaC23H31ClFNOSi
Molecular Weight420.04 g/mol
Exact Mass419.18
IUPAC Nametert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane
SMILESC=C(C)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C23H31ClFNOSi/c1-15(2)20-13-17(23(6,7)27-28(8,9)22(3,4)5)14-21(26-20)16-10-11-19(25)18(24)12-16/h10-14H,1H2,2-9H3
InChIKeyPSTNVTKNEKXPCP-UHFFFAOYSA-N
XLogP7.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.04
LogP ≤ 57.83
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 tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane (CID 160538172) is tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane is C=C(C)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane?
The InChIKey is PSTNVTKNEKXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClFNOSi/c1-15(2)20-13-17(23(6,7)27-28(8,9)22(3,4)5)14-21(26-20)16-10-11-19(25)18(24)12-16/h10-14H,1H2,2-9H3.
What are the key properties of tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane?
tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane has a molecular weight of 420.04 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 160538172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).