4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one

C17H21F3O2Si — CID 14343499

IUPAC4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one
SMILESCC[Si](CC)(CC)OC1(C(F)(F)F)C=CC(=O)c2ccccc21
InChIInChI=1S/C17H21F3O2Si/c1-4-23(5-2,6-3)22-16(17(18,19)20)12-11-15(21)13-9-7-8-10-14(13)16/h7-12H,4-6H2,1-3H3
InChIKeyZLPJJFLBOMNVPY-UHFFFAOYSA-N
MW342.43 g/mol
LogP5.22
Rot. Bonds5

About 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one

4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one (PubChem CID 14343499) has the molecular formula C17H21F3O2Si and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one.

Molecular Properties

Compound Name4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one
PubChem CID14343499
Molecular FormulaC17H21F3O2Si
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one
SMILESCC[Si](CC)(CC)OC1(C(F)(F)F)C=CC(=O)c2ccccc21
InChIInChI=1S/C17H21F3O2Si/c1-4-23(5-2,6-3)22-16(17(18,19)20)12-11-15(21)13-9-7-8-10-14(13)16/h7-12H,4-6H2,1-3H3
InChIKeyZLPJJFLBOMNVPY-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one?
The IUPAC name of 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one (CID 14343499) is 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one.
What is the SMILES notation for 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one?
The canonical SMILES for 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one is CC[Si](CC)(CC)OC1(C(F)(F)F)C=CC(=O)c2ccccc21.
What is the InChIKey of 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one?
The InChIKey is ZLPJJFLBOMNVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O2Si/c1-4-23(5-2,6-3)22-16(17(18,19)20)12-11-15(21)13-9-7-8-10-14(13)16/h7-12H,4-6H2,1-3H3.
What are the key properties of 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one?
4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one has a molecular weight of 342.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilyloxy-4-(trifluoromethyl)naphthalen-1-one is sourced from PubChem (CID 14343499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).