tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane

C18H26F3NSi — CID 123208436

IUPACtert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane
SMILESCC(C)(C)c1cc(C(F)(F)F)c(C#C[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C18H26F3NSi/c1-16(2,3)15-11-14(18(19,20)21)13(12-22-15)9-10-23(7,8)17(4,5)6/h11-12H,1-8H3
InChIKeyXBFUYLOCOBZKKH-UHFFFAOYSA-N
MW341.49 g/mol
LogP5.80
Rot. Bonds

About tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane

tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane (PubChem CID 123208436) has the molecular formula C18H26F3NSi and a molecular weight of 341.49 g/mol. Its IUPAC name is tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane
PubChem CID123208436
Molecular FormulaC18H26F3NSi
Molecular Weight341.49 g/mol
Exact Mass341.18
IUPAC Nametert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane
SMILESCC(C)(C)c1cc(C(F)(F)F)c(C#C[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C18H26F3NSi/c1-16(2,3)15-11-14(18(19,20)21)13(12-22-15)9-10-23(7,8)17(4,5)6/h11-12H,1-8H3
InChIKeyXBFUYLOCOBZKKH-UHFFFAOYSA-N
XLogP5.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane (CID 123208436) is tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane is CC(C)(C)c1cc(C(F)(F)F)c(C#C[Si](C)(C)C(C)(C)C)cn1.
What is the InChIKey of tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane?
The InChIKey is XBFUYLOCOBZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NSi/c1-16(2,3)15-11-14(18(19,20)21)13(12-22-15)9-10-23(7,8)17(4,5)6/h11-12H,1-8H3.
What are the key properties of tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane?
tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane has a molecular weight of 341.49 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[6-tert-butyl-4-(trifluoromethyl)-3-pyridinyl]ethynyl]-dimethylsilane is sourced from PubChem (CID 123208436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).