[tert-butyl(dimethyl)silyl] 2-fluorobenzoate

C13H19FO2Si — CID 91732421

IUPAC[tert-butyl(dimethyl)silyl] 2-fluorobenzoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccccc1F
InChIInChI=1S/C13H19FO2Si/c1-13(2,3)17(4,5)16-12(15)10-8-6-7-9-11(10)14/h6-9H,1-5H3
InChIKeyWQUPZSPFDKBRQY-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.99
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 2-fluorobenzoate

[tert-butyl(dimethyl)silyl] 2-fluorobenzoate (PubChem CID 91732421) has the molecular formula C13H19FO2Si and a molecular weight of 254.38 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-fluorobenzoate
PubChem CID91732421
Molecular FormulaC13H19FO2Si
Molecular Weight254.38 g/mol
Exact Mass254.11
IUPAC Name[tert-butyl(dimethyl)silyl] 2-fluorobenzoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1ccccc1F
InChIInChI=1S/C13H19FO2Si/c1-13(2,3)17(4,5)16-12(15)10-8-6-7-9-11(10)14/h6-9H,1-5H3
InChIKeyWQUPZSPFDKBRQY-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.99
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 [tert-butyl(dimethyl)silyl] 2-fluorobenzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-fluorobenzoate (CID 91732421) is [tert-butyl(dimethyl)silyl] 2-fluorobenzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-fluorobenzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-fluorobenzoate is CC(C)(C)[Si](C)(C)OC(=O)c1ccccc1F.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-fluorobenzoate?
The InChIKey is WQUPZSPFDKBRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2Si/c1-13(2,3)17(4,5)16-12(15)10-8-6-7-9-11(10)14/h6-9H,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-fluorobenzoate?
[tert-butyl(dimethyl)silyl] 2-fluorobenzoate has a molecular weight of 254.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-fluorobenzoate is sourced from PubChem (CID 91732421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).