[3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane

C15H18F2O2Si — CID 169101035

IUPAC[3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane
SMILESCOCOc1cccc2cc([Si](C)(C)C)c(F)c(F)c12
InChIInChI=1S/C15H18F2O2Si/c1-18-9-19-11-7-5-6-10-8-12(20(2,3)4)14(16)15(17)13(10)11/h5-8H,9H2,1-4H3
InChIKeyQRJGLPZUDLGPAJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.65
Rot. Bonds4

About [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane

[3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane (PubChem CID 169101035) has the molecular formula C15H18F2O2Si and a molecular weight of 296.39 g/mol. Its IUPAC name is [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane
PubChem CID169101035
Molecular FormulaC15H18F2O2Si
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name[3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane
SMILESCOCOc1cccc2cc([Si](C)(C)C)c(F)c(F)c12
InChIInChI=1S/C15H18F2O2Si/c1-18-9-19-11-7-5-6-10-8-12(20(2,3)4)14(16)15(17)13(10)11/h5-8H,9H2,1-4H3
InChIKeyQRJGLPZUDLGPAJ-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane?
The IUPAC name of [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane (CID 169101035) is [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane.
What is the SMILES notation for [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane?
The canonical SMILES for [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane is COCOc1cccc2cc([Si](C)(C)C)c(F)c(F)c12.
What is the InChIKey of [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane?
The InChIKey is QRJGLPZUDLGPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2Si/c1-18-9-19-11-7-5-6-10-8-12(20(2,3)4)14(16)15(17)13(10)11/h5-8H,9H2,1-4H3.
What are the key properties of [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane?
[3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane has a molecular weight of 296.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-5-(methoxymethoxy)naphthalen-2-yl]-trimethylsilane is sourced from PubChem (CID 169101035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).