trimethylsilyl 2-fluorobenzoate

C10H13FO2Si — CID 91732432

IUPACtrimethylsilyl 2-fluorobenzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1F
InChIInChI=1S/C10H13FO2Si/c1-14(2,3)13-10(12)8-6-4-5-7-9(8)11/h4-7H,1-3H3
InChIKeyVZVYGXOTUTVRSF-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.82
Rot. Bonds2

About trimethylsilyl 2-fluorobenzoate

trimethylsilyl 2-fluorobenzoate (PubChem CID 91732432) has the molecular formula C10H13FO2Si and a molecular weight of 212.30 g/mol. Its IUPAC name is trimethylsilyl 2-fluorobenzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-fluorobenzoate
PubChem CID91732432
Molecular FormulaC10H13FO2Si
Molecular Weight212.30 g/mol
Exact Mass212.07
IUPAC Nametrimethylsilyl 2-fluorobenzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1F
InChIInChI=1S/C10H13FO2Si/c1-14(2,3)13-10(12)8-6-4-5-7-9(8)11/h4-7H,1-3H3
InChIKeyVZVYGXOTUTVRSF-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.82
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 trimethylsilyl 2-fluorobenzoate?
The IUPAC name of trimethylsilyl 2-fluorobenzoate (CID 91732432) is trimethylsilyl 2-fluorobenzoate.
What is the SMILES notation for trimethylsilyl 2-fluorobenzoate?
The canonical SMILES for trimethylsilyl 2-fluorobenzoate is C[Si](C)(C)OC(=O)c1ccccc1F.
What is the InChIKey of trimethylsilyl 2-fluorobenzoate?
The InChIKey is VZVYGXOTUTVRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2Si/c1-14(2,3)13-10(12)8-6-4-5-7-9(8)11/h4-7H,1-3H3.
What are the key properties of trimethylsilyl 2-fluorobenzoate?
trimethylsilyl 2-fluorobenzoate has a molecular weight of 212.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-fluorobenzoate is sourced from PubChem (CID 91732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).