[1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane

C18H28F3NO2Si — CID 10571524

IUPAC[1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane
SMILESCCOC(O[Si](C)(C)C)(C1CCCN1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H28F3NO2Si/c1-5-23-17(18(19,20)21,24-25(2,3)4)16-12-9-13-22(16)14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,9,12-14H2,1-4H3
InChIKeyOOOWSPHZZIUOJI-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.80
Rot. Bonds7

About [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane

[1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane (PubChem CID 10571524) has the molecular formula C18H28F3NO2Si and a molecular weight of 375.51 g/mol. Its IUPAC name is [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane
PubChem CID10571524
Molecular FormulaC18H28F3NO2Si
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC Name[1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane
SMILESCCOC(O[Si](C)(C)C)(C1CCCN1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H28F3NO2Si/c1-5-23-17(18(19,20)21,24-25(2,3)4)16-12-9-13-22(16)14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,9,12-14H2,1-4H3
InChIKeyOOOWSPHZZIUOJI-UHFFFAOYSA-N
XLogP4.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane?
The IUPAC name of [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane (CID 10571524) is [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane.
What is the SMILES notation for [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane?
The canonical SMILES for [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane is CCOC(O[Si](C)(C)C)(C1CCCN1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane?
The InChIKey is OOOWSPHZZIUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3NO2Si/c1-5-23-17(18(19,20)21,24-25(2,3)4)16-12-9-13-22(16)14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,9,12-14H2,1-4H3.
What are the key properties of [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane?
[1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane has a molecular weight of 375.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylpyrrolidin-2-yl)-1-ethoxy-2,2,2-trifluoroethoxy]-trimethylsilane is sourced from PubChem (CID 10571524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).