4-fluoro-2-trimethylsilylphenol

C9H13FOSi — CID 14785572

IUPAC4-fluoro-2-trimethylsilylphenol
SMILESC[Si](C)(C)c1cc(F)ccc1O
InChIInChI=1S/C9H13FOSi/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6,11H,1-3H3
InChIKeyAYGVTXFDGUBPME-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.08
Rot. Bonds1

About 4-fluoro-2-trimethylsilylphenol

4-fluoro-2-trimethylsilylphenol (PubChem CID 14785572) has the molecular formula C9H13FOSi and a molecular weight of 184.29 g/mol. Its IUPAC name is 4-fluoro-2-trimethylsilylphenol.

Molecular Properties

Compound Name4-fluoro-2-trimethylsilylphenol
PubChem CID14785572
Molecular FormulaC9H13FOSi
Molecular Weight184.29 g/mol
Exact Mass184.07
IUPAC Name4-fluoro-2-trimethylsilylphenol
SMILESC[Si](C)(C)c1cc(F)ccc1O
InChIInChI=1S/C9H13FOSi/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6,11H,1-3H3
InChIKeyAYGVTXFDGUBPME-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoro-2-trimethylsilylphenol?
The IUPAC name of 4-fluoro-2-trimethylsilylphenol (CID 14785572) is 4-fluoro-2-trimethylsilylphenol.
What is the SMILES notation for 4-fluoro-2-trimethylsilylphenol?
The canonical SMILES for 4-fluoro-2-trimethylsilylphenol is C[Si](C)(C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-trimethylsilylphenol?
The InChIKey is AYGVTXFDGUBPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FOSi/c1-12(2,3)9-6-7(10)4-5-8(9)11/h4-6,11H,1-3H3.
What are the key properties of 4-fluoro-2-trimethylsilylphenol?
4-fluoro-2-trimethylsilylphenol has a molecular weight of 184.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-trimethylsilylphenol is sourced from PubChem (CID 14785572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).