2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C14H26F3N2O4PSi — CID 164668430

IUPAC2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(OCC)c1cc(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C14H26F3N2O4PSi/c1-6-22-24(20,23-7-2)13-10-12(14(15,16)17)18-19(13)11-21-8-9-25(3,4)5/h10H,6-9,11H2,1-5H3
InChIKeyMSKNELNJOVWFHW-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.11
Rot. Bonds10

About 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164668430) has the molecular formula C14H26F3N2O4PSi and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164668430
Molecular FormulaC14H26F3N2O4PSi
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(OCC)c1cc(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C14H26F3N2O4PSi/c1-6-22-24(20,23-7-2)13-10-12(14(15,16)17)18-19(13)11-21-8-9-25(3,4)5/h10H,6-9,11H2,1-5H3
InChIKeyMSKNELNJOVWFHW-UHFFFAOYSA-N
XLogP4.11
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164668430) is 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCOP(=O)(OCC)c1cc(C(F)(F)F)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MSKNELNJOVWFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N2O4PSi/c1-6-22-24(20,23-7-2)13-10-12(14(15,16)17)18-19(13)11-21-8-9-25(3,4)5/h10H,6-9,11H2,1-5H3.
What are the key properties of 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 402.43 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164668430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).