tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane

C14H22F2OSi — CID 91734918

IUPACtert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H22F2OSi/c1-10(17-18(5,6)14(2,3)4)13-11(15)8-7-9-12(13)16/h7-10H,1-6H3
InChIKeyVLMDSXVELNRKEX-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.05
Rot. Bonds3

About tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane

tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane (PubChem CID 91734918) has the molecular formula C14H22F2OSi and a molecular weight of 272.41 g/mol. Its IUPAC name is tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
PubChem CID91734918
Molecular FormulaC14H22F2OSi
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Nametert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H22F2OSi/c1-10(17-18(5,6)14(2,3)4)13-11(15)8-7-9-12(13)16/h7-10H,1-6H3
InChIKeyVLMDSXVELNRKEX-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 89088484
N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline
CID 67439833
tert-butyl-(2,3-difluorophenoxy)-dimethylsilane
CID 68643642
1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
CID 91717246
1-(2,6-difluorophenyl)ethyl formate
CID 141266097
2-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)acetaldehyde
CID 90002770
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]benzoic acid
CID 69196947
tert-butyl-(2-ethyl-6-fluorophenoxy)-dimethylsilane
CID 90310844
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane
CID 102396896
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
[(1S)-1-(1H-benzimidazol-2-yl)ethoxy]-tert-butyl-dimethylsilane
CID 71378419

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane (CID 91734918) is tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane is CC(O[Si](C)(C)C(C)(C)C)c1c(F)cccc1F.
What is the InChIKey of tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane?
The InChIKey is VLMDSXVELNRKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2OSi/c1-10(17-18(5,6)14(2,3)4)13-11(15)8-7-9-12(13)16/h7-10H,1-6H3.
What are the key properties of tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane?
tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane has a molecular weight of 272.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane is sourced from PubChem (CID 91734918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).