5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile

C13H15F2NOSi — CID 123233785

IUPAC5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C13H15F2NOSi/c1-18(2,3)17-13(8-16)6-9-4-11(14)12(15)5-10(9)7-13/h4-5H,6-7H2,1-3H3
InChIKeyFURWSXLBXRFSII-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.18
Rot. Bonds2

About 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile

5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile (PubChem CID 123233785) has the molecular formula C13H15F2NOSi and a molecular weight of 267.35 g/mol. Its IUPAC name is 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
PubChem CID123233785
Molecular FormulaC13H15F2NOSi
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C13H15F2NOSi/c1-18(2,3)17-13(8-16)6-9-4-11(14)12(15)5-10(9)7-13/h4-5H,6-7H2,1-3H3
InChIKeyFURWSXLBXRFSII-UHFFFAOYSA-N
XLogP3.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.18
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 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile (CID 123233785) is 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile is C[Si](C)(C)OC1(C#N)Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
The InChIKey is FURWSXLBXRFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NOSi/c1-18(2,3)17-13(8-16)6-9-4-11(14)12(15)5-10(9)7-13/h4-5H,6-7H2,1-3H3.
What are the key properties of 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile?
5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile has a molecular weight of 267.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 123233785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).