tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C18H28F2O2Si — CID 77360305

IUPACtert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOCC(F)(F)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28F2O2Si/c1-17(2,3)23(5,6)22-16-11-10-13-14(16)8-7-9-15(13)18(19,20)12-21-4/h7-9,16H,10-12H2,1-6H3
InChIKeyGLZLQQLPTZWDNX-UHFFFAOYSA-N
MW342.50 g/mol
LogP5.43
Rot. Bonds5

About tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 77360305) has the molecular formula C18H28F2O2Si and a molecular weight of 342.50 g/mol. Its IUPAC name is tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID77360305
Molecular FormulaC18H28F2O2Si
Molecular Weight342.50 g/mol
Exact Mass342.18
IUPAC Nametert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOCC(F)(F)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28F2O2Si/c1-17(2,3)23(5,6)22-16-11-10-13-14(16)8-7-9-15(13)18(19,20)12-21-4/h7-9,16H,10-12H2,1-6H3
InChIKeyGLZLQQLPTZWDNX-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 55.43
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
Triethyl-[1-[2-(trifluoromethyl)phenyl]ethoxy]silane
CID 12172069
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
CID 134959844
tert-butyl-[3-[2,3-dimethoxy-5-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
CID 134982577
tert-butyl-[3-[2,3-dimethoxy-6-(trifluoromethyl)-3H-inden-1-yl]propoxy]-dimethylsilane
CID 134983323
1-tert-butylperoxy-2-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 178251898
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
Tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane
CID 56998132
2-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)oxy]ethyl-trimethylsilane
CID 58950894
2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane
CID 58950973
[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol
CID 58951033
(2-((Tert-butyldimethylsilyloxy)methyl)-4-(trifluoromethyl)-phenyl)-(cyclopentyl)methanol
CID 58968632

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 77360305) is tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is COCC(F)(F)c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is GLZLQQLPTZWDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O2Si/c1-17(2,3)23(5,6)22-16-11-10-13-14(16)8-7-9-15(13)18(19,20)12-21-4/h7-9,16H,10-12H2,1-6H3.
What are the key properties of tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 342.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 77360305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).