tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane

C12H18F2O2Si — CID 71378695

IUPACtert-butyl-(3,4-dimethoxyphenyl)-difluorosilane
SMILESCOc1ccc([Si](F)(F)C(C)(C)C)cc1OC
InChIInChI=1S/C12H18F2O2Si/c1-12(2,3)17(13,14)9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3
InChIKeyNDGVGDKHEGUJEA-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane

tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane (PubChem CID 71378695) has the molecular formula C12H18F2O2Si and a molecular weight of 260.36 g/mol. Its IUPAC name is tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane.

Molecular Properties

Compound Nametert-butyl-(3,4-dimethoxyphenyl)-difluorosilane
PubChem CID71378695
Molecular FormulaC12H18F2O2Si
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Nametert-butyl-(3,4-dimethoxyphenyl)-difluorosilane
SMILESCOc1ccc([Si](F)(F)C(C)(C)C)cc1OC
InChIInChI=1S/C12H18F2O2Si/c1-12(2,3)17(13,14)9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3
InChIKeyNDGVGDKHEGUJEA-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide
CID 153323745
tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane
CID 71378692
(3,4-dimethoxyphenyl)-dimethyl-(3,4,5-trimethoxyphenyl)silane
CID 72697489
ditert-butyl-bis(3,4-dimethoxyphenoxy)silane
CID 10765897
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine
CID 66205349
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118535888
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine
CID 66204548
1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
CID 2758493
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane?
The IUPAC name of tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane (CID 71378695) is tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane.
What is the SMILES notation for tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane?
The canonical SMILES for tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane is COc1ccc([Si](F)(F)C(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane?
The InChIKey is NDGVGDKHEGUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O2Si/c1-12(2,3)17(13,14)9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3.
What are the key properties of tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane?
tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane has a molecular weight of 260.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane is sourced from PubChem (CID 71378695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).