3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde

C11H15FO3Si — CID 167718769

IUPAC3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde
SMILESCOc1cc(F)c(O[Si](C)(C)C)c(C=O)c1
InChIInChI=1S/C11H15FO3Si/c1-14-9-5-8(7-13)11(10(12)6-9)15-16(2,3)4/h5-7H,1-4H3
InChIKeyPFWABGFLFJNWKD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.86
Rot. Bonds4

About 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde

3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde (PubChem CID 167718769) has the molecular formula C11H15FO3Si and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde
PubChem CID167718769
Molecular FormulaC11H15FO3Si
Molecular Weight242.32 g/mol
Exact Mass242.08
IUPAC Name3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde
SMILESCOc1cc(F)c(O[Si](C)(C)C)c(C=O)c1
InChIInChI=1S/C11H15FO3Si/c1-14-9-5-8(7-13)11(10(12)6-9)15-16(2,3)4/h5-7H,1-4H3
InChIKeyPFWABGFLFJNWKD-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde?
The IUPAC name of 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde (CID 167718769) is 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde.
What is the SMILES notation for 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde?
The canonical SMILES for 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde is COc1cc(F)c(O[Si](C)(C)C)c(C=O)c1.
What is the InChIKey of 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde?
The InChIKey is PFWABGFLFJNWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3Si/c1-14-9-5-8(7-13)11(10(12)6-9)15-16(2,3)4/h5-7H,1-4H3.
What are the key properties of 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde?
3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde has a molecular weight of 242.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde is sourced from PubChem (CID 167718769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).