trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate

C17H16F2O3Si — CID 629236

IUPACtrimethylsilyl 2-(2,5-difluorobenzoyl)benzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H16F2O3Si/c1-23(2,3)22-17(21)13-7-5-4-6-12(13)16(20)14-10-11(18)8-9-15(14)19/h4-10H,1-3H3
InChIKeyAGJAOGNKPZZMMR-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.19
Rot. Bonds4

About trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate

trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate (PubChem CID 629236) has the molecular formula C17H16F2O3Si and a molecular weight of 334.39 g/mol. Its IUPAC name is trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(2,5-difluorobenzoyl)benzoate
PubChem CID629236
Molecular FormulaC17H16F2O3Si
Molecular Weight334.39 g/mol
Exact Mass334.08
IUPAC Nametrimethylsilyl 2-(2,5-difluorobenzoyl)benzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H16F2O3Si/c1-23(2,3)22-17(21)13-7-5-4-6-12(13)16(20)14-10-11(18)8-9-15(14)19/h4-10H,1-3H3
InChIKeyAGJAOGNKPZZMMR-UHFFFAOYSA-N
XLogP4.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.19
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 trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate?
The IUPAC name of trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate (CID 629236) is trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate.
What is the SMILES notation for trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate?
The canonical SMILES for trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate is C[Si](C)(C)OC(=O)c1ccccc1C(=O)c1cc(F)ccc1F.
What is the InChIKey of trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate?
The InChIKey is AGJAOGNKPZZMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3Si/c1-23(2,3)22-17(21)13-7-5-4-6-12(13)16(20)14-10-11(18)8-9-15(14)19/h4-10H,1-3H3.
What are the key properties of trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate?
trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate has a molecular weight of 334.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(2,5-difluorobenzoyl)benzoate is sourced from PubChem (CID 629236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).