triethoxy-[4-(trifluoromethyl)phenyl]silane

C13H19F3O3Si — CID 11858742

IUPACtriethoxy-[4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16/h7-10H,4-6H2,1-3H3
InChIKeyPBTDWUVVCOLMFE-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.96
Rot. Bonds7

About triethoxy-[4-(trifluoromethyl)phenyl]silane

triethoxy-[4-(trifluoromethyl)phenyl]silane (PubChem CID 11858742) has the molecular formula C13H19F3O3Si and a molecular weight of 308.37 g/mol. Its IUPAC name is triethoxy-[4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-(trifluoromethyl)phenyl]silane
PubChem CID11858742
Molecular FormulaC13H19F3O3Si
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Nametriethoxy-[4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16/h7-10H,4-6H2,1-3H3
InChIKeyPBTDWUVVCOLMFE-UHFFFAOYSA-N
XLogP2.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.96
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 triethoxy-[4-(trifluoromethyl)phenyl]silane?
The IUPAC name of triethoxy-[4-(trifluoromethyl)phenyl]silane (CID 11858742) is triethoxy-[4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for triethoxy-[4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for triethoxy-[4-(trifluoromethyl)phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of triethoxy-[4-(trifluoromethyl)phenyl]silane?
The InChIKey is PBTDWUVVCOLMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16/h7-10H,4-6H2,1-3H3.
What are the key properties of triethoxy-[4-(trifluoromethyl)phenyl]silane?
triethoxy-[4-(trifluoromethyl)phenyl]silane has a molecular weight of 308.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 11858742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).