tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane

C15H27F3N2OSi — CID 141191317

IUPACtert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCN1C=C(C(F)(F)F)C=NC1
InChIInChI=1S/C15H27F3N2OSi/c1-14(2,3)22(4,5)21-9-7-6-8-20-11-13(10-19-12-20)15(16,17)18/h10-11H,6-9,12H2,1-5H3
InChIKeyCEXQKWHBDYMLDP-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.58
Rot. Bonds6

About tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane

tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane (PubChem CID 141191317) has the molecular formula C15H27F3N2OSi and a molecular weight of 336.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane
PubChem CID141191317
Molecular FormulaC15H27F3N2OSi
Molecular Weight336.47 g/mol
Exact Mass336.18
IUPAC Nametert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCN1C=C(C(F)(F)F)C=NC1
InChIInChI=1S/C15H27F3N2OSi/c1-14(2,3)22(4,5)21-9-7-6-8-20-11-13(10-19-12-20)15(16,17)18/h10-11H,6-9,12H2,1-5H3
InChIKeyCEXQKWHBDYMLDP-UHFFFAOYSA-N
XLogP4.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
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tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
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2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
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CID 15229755
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CID 11043515
tert-butyl-[5-(5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)pentoxy]-dimethylsilane
CID 10832273
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane (CID 141191317) is tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane is CC(C)(C)[Si](C)(C)OCCCCN1C=C(C(F)(F)F)C=NC1.
What is the InChIKey of tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane?
The InChIKey is CEXQKWHBDYMLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2OSi/c1-14(2,3)22(4,5)21-9-7-6-8-20-11-13(10-19-12-20)15(16,17)18/h10-11H,6-9,12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane?
tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane has a molecular weight of 336.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[5-(trifluoromethyl)-2H-pyrimidin-1-yl]butoxy]silane is sourced from PubChem (CID 141191317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).