dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane

C16H18F3NO2Si — CID 91715729

IUPACdimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane
SMILESC[Si](C)(OCc1cccnc1)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO2Si/c1-23(2,21-11-13-6-5-9-20-10-13)22-12-14-7-3-4-8-15(14)16(17,18)19/h3-10H,11-12H2,1-2H3
InChIKeyAJRKPTCYXMVOIB-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.54
Rot. Bonds6

About dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane

dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane (PubChem CID 91715729) has the molecular formula C16H18F3NO2Si and a molecular weight of 341.41 g/mol. Its IUPAC name is dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane.

Molecular Properties

Compound Namedimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane
PubChem CID91715729
Molecular FormulaC16H18F3NO2Si
Molecular Weight341.41 g/mol
Exact Mass341.11
IUPAC Namedimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane
SMILESC[Si](C)(OCc1cccnc1)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO2Si/c1-23(2,21-11-13-6-5-9-20-10-13)22-12-14-7-3-4-8-15(14)16(17,18)19/h3-10H,11-12H2,1-2H3
InChIKeyAJRKPTCYXMVOIB-UHFFFAOYSA-N
XLogP4.54
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane?
The IUPAC name of dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane (CID 91715729) is dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane.
What is the SMILES notation for dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane?
The canonical SMILES for dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane is C[Si](C)(OCc1cccnc1)OCc1ccccc1C(F)(F)F.
What is the InChIKey of dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane?
The InChIKey is AJRKPTCYXMVOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2Si/c1-23(2,21-11-13-6-5-9-20-10-13)22-12-14-7-3-4-8-15(14)16(17,18)19/h3-10H,11-12H2,1-2H3.
What are the key properties of dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane?
dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane has a molecular weight of 341.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(pyridin-3-ylmethoxy)-[[2-(trifluoromethyl)phenyl]methoxy]silane is sourced from PubChem (CID 91715729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).