(3,4-difluorophenyl)-triethoxysilane

C12H18F2O3Si — CID 12006362

IUPAC(3,4-difluorophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2O3Si/c1-4-15-18(16-5-2,17-6-3)10-7-8-11(13)12(14)9-10/h7-9H,4-6H2,1-3H3
InChIKeyJOXGWJFCIVGDRW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.22
Rot. Bonds7

About (3,4-difluorophenyl)-triethoxysilane

(3,4-difluorophenyl)-triethoxysilane (PubChem CID 12006362) has the molecular formula C12H18F2O3Si and a molecular weight of 276.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-triethoxysilane.

Molecular Properties

Compound Name(3,4-difluorophenyl)-triethoxysilane
PubChem CID12006362
Molecular FormulaC12H18F2O3Si
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(3,4-difluorophenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2O3Si/c1-4-15-18(16-5-2,17-6-3)10-7-8-11(13)12(14)9-10/h7-9H,4-6H2,1-3H3
InChIKeyJOXGWJFCIVGDRW-UHFFFAOYSA-N
XLogP2.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethoxyphenylsilane
CID 18137
(Dimethoxymethylsilyl)benzene
CID 18193
Phenyltriethoxysilane
CID 13075
Ethoxydimethylphenylsilane
CID 15770
Diphenyldiethoxysilane
CID 75705
Benzene, (diethoxymethylsilyl)-
CID 69891
2,5,7,10-Tetraoxa-6-silaundecane, 6-(2-methoxyethoxy)-6-phenyl-
CID 87359
(Triethoxysilyl)pentafluorobenzene
CID 2782625
Tris(isopropenyloxy)phenyl silane
CID 104146
1,4-Bis(triethoxysilyl)benzene
CID 11495075
Triethoxy(4-(trifluoromethyl)phenyl)silane
CID 11858742
1,4-Bis(methoxydimethylsilyl)benzene
CID 21900341

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-triethoxysilane?
The IUPAC name of (3,4-difluorophenyl)-triethoxysilane (CID 12006362) is (3,4-difluorophenyl)-triethoxysilane.
What is the SMILES notation for (3,4-difluorophenyl)-triethoxysilane?
The canonical SMILES for (3,4-difluorophenyl)-triethoxysilane is CCO[Si](OCC)(OCC)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-triethoxysilane?
The InChIKey is JOXGWJFCIVGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O3Si/c1-4-15-18(16-5-2,17-6-3)10-7-8-11(13)12(14)9-10/h7-9H,4-6H2,1-3H3.
What are the key properties of (3,4-difluorophenyl)-triethoxysilane?
(3,4-difluorophenyl)-triethoxysilane has a molecular weight of 276.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-triethoxysilane is sourced from PubChem (CID 12006362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).