tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane

C17H24F3NSi — CID 177440391

IUPACtri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cccc(C(F)(F)F)n1)(C(C)C)C(C)C
InChIInChI=1S/C17H24F3NSi/c1-12(2)22(13(3)4,14(5)6)11-10-15-8-7-9-16(21-15)17(18,19)20/h7-9,12-14H,1-6H3
InChIKeyNCINXXCBAFIECC-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.67
Rot. Bonds3

About tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane

tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane (PubChem CID 177440391) has the molecular formula C17H24F3NSi and a molecular weight of 327.47 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane
PubChem CID177440391
Molecular FormulaC17H24F3NSi
Molecular Weight327.47 g/mol
Exact Mass327.16
IUPAC Nametri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cccc(C(F)(F)F)n1)(C(C)C)C(C)C
InChIInChI=1S/C17H24F3NSi/c1-12(2)22(13(3)4,14(5)6)11-10-15-8-7-9-16(21-15)17(18,19)20/h7-9,12-14H,1-6H3
InChIKeyNCINXXCBAFIECC-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.67
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 tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane (CID 177440391) is tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane is CC(C)[Si](C#Cc1cccc(C(F)(F)F)n1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane?
The InChIKey is NCINXXCBAFIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NSi/c1-12(2)22(13(3)4,14(5)6)11-10-15-8-7-9-16(21-15)17(18,19)20/h7-9,12-14H,1-6H3.
What are the key properties of tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane?
tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane has a molecular weight of 327.47 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]silane is sourced from PubChem (CID 177440391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).