(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

C14H16F3NOSi — CID 134968096

IUPAC(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)O[C@@]1(C#N)CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NOSi/c1-20(2,3)19-13(9-18)7-6-10-4-5-11(8-12(10)13)14(15,16)17/h4-5,8H,6-7H2,1-3H3/t13-/m1/s1
InChIKeyDELKZJHGFDGFEJ-CYBMUJFWSA-N
MW299.37 g/mol
LogP4.22
Rot. Bonds2

About (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (PubChem CID 134968096) has the molecular formula C14H16F3NOSi and a molecular weight of 299.37 g/mol. Its IUPAC name is (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
PubChem CID134968096
Molecular FormulaC14H16F3NOSi
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)O[C@@]1(C#N)CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H16F3NOSi/c1-20(2,3)19-13(9-18)7-6-10-4-5-11(8-12(10)13)14(15,16)17/h4-5,8H,6-7H2,1-3H3/t13-/m1/s1
InChIKeyDELKZJHGFDGFEJ-CYBMUJFWSA-N
XLogP4.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.22
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

9-Hydroxy-9-(trifluoromethyl)fluorene-2-carbonitrile
CID 59493029
Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
2-(2,4,6-Trimethylphenyl)-2-trimethylsiloxy-3,3,3-trifluoropropionitrile
CID 129812610
4,4,4-Trifluoro-3-phenyl-3-trimethylsilyloxybutanenitrile
CID 135005257
9H-Fluorene-9-carbonitrile, 9-[(trimethylsilyl)oxy]-
CID 10826550
1-[(Trimethylsilyl)oxy]-2,3-dihydro-1H-indene-1-carbonitrile
CID 14822594
2-Trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
CID 58306284
4-(Trifluoromethyl)-2-[tri(propan-2-yl)silyloxymethyl]benzonitrile
CID 68852245
5,6-Difluoro-2-trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
CID 123233785
CID 144865108
CID 144865108
1-[tert-butyl(dimethyl)silyl]oxy-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 168727906
3-[tert-butyl(dimethyl)silyl]oxy-7-fluoro-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 172487419

Frequently Asked Questions

What is the IUPAC name of (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (CID 134968096) is (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is C[Si](C)(C)O[C@@]1(C#N)CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The InChIKey is DELKZJHGFDGFEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F3NOSi/c1-20(2,3)19-13(9-18)7-6-10-4-5-11(8-12(10)13)14(15,16)17/h4-5,8H,6-7H2,1-3H3/t13-/m1/s1.
What are the key properties of (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
(1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile has a molecular weight of 299.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-(trifluoromethyl)-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 134968096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).