4-fluoro-N-trimethylsilylaniline

C9H14FNSi — CID 71359923

IUPAC4-fluoro-N-trimethylsilylaniline
SMILESC[Si](C)(C)Nc1ccc(F)cc1
InChIInChI=1S/C9H14FNSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7,11H,1-3H3
InChIKeyBWRXBXFNKZDHRH-UHFFFAOYSA-N
MW183.30 g/mol
LogP3.07
Rot. Bonds2

About 4-fluoro-N-trimethylsilylaniline

4-fluoro-N-trimethylsilylaniline (PubChem CID 71359923) has the molecular formula C9H14FNSi and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-fluoro-N-trimethylsilylaniline.

Molecular Properties

Compound Name4-fluoro-N-trimethylsilylaniline
PubChem CID71359923
Molecular FormulaC9H14FNSi
Molecular Weight183.30 g/mol
Exact Mass183.09
IUPAC Name4-fluoro-N-trimethylsilylaniline
SMILESC[Si](C)(C)Nc1ccc(F)cc1
InChIInChI=1S/C9H14FNSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7,11H,1-3H3
InChIKeyBWRXBXFNKZDHRH-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 53.07
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-N-trimethylsilylaniline?
The IUPAC name of 4-fluoro-N-trimethylsilylaniline (CID 71359923) is 4-fluoro-N-trimethylsilylaniline.
What is the SMILES notation for 4-fluoro-N-trimethylsilylaniline?
The canonical SMILES for 4-fluoro-N-trimethylsilylaniline is C[Si](C)(C)Nc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-trimethylsilylaniline?
The InChIKey is BWRXBXFNKZDHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7,11H,1-3H3.
What are the key properties of 4-fluoro-N-trimethylsilylaniline?
4-fluoro-N-trimethylsilylaniline has a molecular weight of 183.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-trimethylsilylaniline is sourced from PubChem (CID 71359923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).