trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane

C11H14F3NO3Si — CID 71414533

IUPACtrimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane
SMILESC[Si](C)(C)OC(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO3Si/c1-19(2,3)18-10(11(12,13)14)8-4-6-9(7-5-8)15(16)17/h4-7,10H,1-3H3
InChIKeyNKNJGRCMHXREHX-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.05
Rot. Bonds4

About trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane

trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane (PubChem CID 71414533) has the molecular formula C11H14F3NO3Si and a molecular weight of 293.32 g/mol. Its IUPAC name is trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane
PubChem CID71414533
Molecular FormulaC11H14F3NO3Si
Molecular Weight293.32 g/mol
Exact Mass293.07
IUPAC Nametrimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane
SMILESC[Si](C)(C)OC(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO3Si/c1-19(2,3)18-10(11(12,13)14)8-4-6-9(7-5-8)15(16)17/h4-7,10H,1-3H3
InChIKeyNKNJGRCMHXREHX-UHFFFAOYSA-N
XLogP4.05
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane?
The IUPAC name of trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane (CID 71414533) is trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane.
What is the SMILES notation for trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane?
The canonical SMILES for trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane is C[Si](C)(C)OC(c1ccc([N+](=O)[O-])cc1)C(F)(F)F.
What is the InChIKey of trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane?
The InChIKey is NKNJGRCMHXREHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3Si/c1-19(2,3)18-10(11(12,13)14)8-4-6-9(7-5-8)15(16)17/h4-7,10H,1-3H3.
What are the key properties of trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane?
trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane has a molecular weight of 293.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane is sourced from PubChem (CID 71414533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).