5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid

C14H21FO3Si — CID 20604749

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H21FO3Si/c1-14(2,3)19(4,5)18-9-10-6-7-12(15)11(8-10)13(16)17/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyNDCGLEXDHFYILI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.05
Rot. Bonds4

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid (PubChem CID 20604749) has the molecular formula C14H21FO3Si and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid
PubChem CID20604749
Molecular FormulaC14H21FO3Si
Molecular Weight284.40 g/mol
Exact Mass284.12
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H21FO3Si/c1-14(2,3)19(4,5)18-9-10-6-7-12(15)11(8-10)13(16)17/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyNDCGLEXDHFYILI-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid (CID 20604749) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid is CC(C)(C)[Si](C)(C)OCc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid?
The InChIKey is NDCGLEXDHFYILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO3Si/c1-14(2,3)19(4,5)18-9-10-6-7-12(15)11(8-10)13(16)17/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid has a molecular weight of 284.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzoic acid is sourced from PubChem (CID 20604749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).