(1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

C13H16FNOSi — CID 102101005

IUPAC(1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)O[C@]1(C#N)c2ccccc2C[C@H]1F
InChIInChI=1S/C13H16FNOSi/c1-17(2,3)16-13(9-15)11-7-5-4-6-10(11)8-12(13)14/h4-7,12H,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyVEDWQNYIICULLC-CHWSQXEVSA-N
MW249.36 g/mol
LogP3.15
Rot. Bonds2

About (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

(1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (PubChem CID 102101005) has the molecular formula C13H16FNOSi and a molecular weight of 249.36 g/mol. Its IUPAC name is (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name(1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
PubChem CID102101005
Molecular FormulaC13H16FNOSi
Molecular Weight249.36 g/mol
Exact Mass249.10
IUPAC Name(1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)O[C@]1(C#N)c2ccccc2C[C@H]1F
InChIInChI=1S/C13H16FNOSi/c1-17(2,3)16-13(9-15)11-7-5-4-6-10(11)8-12(13)14/h4-7,12H,8H2,1-3H3/t12-,13-/m1/s1
InChIKeyVEDWQNYIICULLC-CHWSQXEVSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(2-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11149090
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442
(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 134968096
4,4,4-Trifluoro-3-phenyl-3-trimethylsilyloxybutanenitrile
CID 135005257
2-Phenyl-2-trimethylsiloxy-3,3-dimethylbutyronitrile
CID 12439568
2-Phenyl-2-trimethylsilyloxypropanenitrile
CID 9899312
9H-Fluorene-9-carbonitrile, 9-[(trimethylsilyl)oxy]-
CID 10826550
(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 11183590
2-(2-Methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 11608333
1-[(Trimethylsilyl)oxy]-2,3-dihydro-1H-indene-1-carbonitrile
CID 14822594

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (CID 102101005) is (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is C[Si](C)(C)O[C@]1(C#N)c2ccccc2C[C@H]1F.
What is the InChIKey of (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The InChIKey is VEDWQNYIICULLC-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16FNOSi/c1-17(2,3)16-13(9-15)11-7-5-4-6-10(11)8-12(13)14/h4-7,12H,8H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
(1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile has a molecular weight of 249.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 102101005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).