4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

C13H16FNOSi — CID 83070038

IUPAC4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2c(F)cccc21
InChIInChI=1S/C13H16FNOSi/c1-17(2,3)16-13(9-15)8-7-10-11(13)5-4-6-12(10)14/h4-6H,7-8H2,1-3H3
InChIKeyBXESZNKPJQAQLQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.34
Rot. Bonds2

About 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (PubChem CID 83070038) has the molecular formula C13H16FNOSi and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
PubChem CID83070038
Molecular FormulaC13H16FNOSi
Molecular Weight249.36 g/mol
Exact Mass249.10
IUPAC Name4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2c(F)cccc21
InChIInChI=1S/C13H16FNOSi/c1-17(2,3)16-13(9-15)8-7-10-11(13)5-4-6-12(10)14/h4-6H,7-8H2,1-3H3
InChIKeyBXESZNKPJQAQLQ-UHFFFAOYSA-N
XLogP3.34
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.34
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 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (CID 83070038) is 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The InChIKey is BXESZNKPJQAQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOSi/c1-17(2,3)16-13(9-15)8-7-10-11(13)5-4-6-12(10)14/h4-6H,7-8H2,1-3H3.
What are the key properties of 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile has a molecular weight of 249.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 83070038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).