[dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane

C16H20F2OSi2 — CID 122205893

IUPAC[dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane
SMILES[2H]c1cc([Si](C)(C)O[Si](C)(C)c2cc([2H])c([2H])c([2H])c2F)c(F)c([2H])c1[2H]
InChIInChI=1S/C16H20F2OSi2/c1-20(2,15-11-7-5-9-13(15)17)19-21(3,4)16-12-8-6-10-14(16)18/h5-12H,1-4H3/i5D,6D,7D,8D,9D,10D
InChIKeyOUWSQICGHUHOSM-VNBWLILLSA-N
MW328.54 g/mol
LogP3.51
Rot. Bonds4

About [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane

[dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane (PubChem CID 122205893) has the molecular formula C16H20F2OSi2 and a molecular weight of 328.54 g/mol. Its IUPAC name is [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane.

Molecular Properties

Compound Name[dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane
PubChem CID122205893
Molecular FormulaC16H20F2OSi2
Molecular Weight328.54 g/mol
Exact Mass328.14
IUPAC Name[dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane
SMILES[2H]c1cc([Si](C)(C)O[Si](C)(C)c2cc([2H])c([2H])c([2H])c2F)c(F)c([2H])c1[2H]
InChIInChI=1S/C16H20F2OSi2/c1-20(2,15-11-7-5-9-13(15)17)19-21(3,4)16-12-8-6-10-14(16)18/h5-12H,1-4H3/i5D,6D,7D,8D,9D,10D
InChIKeyOUWSQICGHUHOSM-VNBWLILLSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane?
The IUPAC name of [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane (CID 122205893) is [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane.
What is the SMILES notation for [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane?
The canonical SMILES for [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane is [2H]c1cc([Si](C)(C)O[Si](C)(C)c2cc([2H])c([2H])c([2H])c2F)c(F)c([2H])c1[2H].
What is the InChIKey of [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane?
The InChIKey is OUWSQICGHUHOSM-VNBWLILLSA-N. The full InChI is InChI=1S/C16H20F2OSi2/c1-20(2,15-11-7-5-9-13(15)17)19-21(3,4)16-12-8-6-10-14(16)18/h5-12H,1-4H3/i5D,6D,7D,8D,9D,10D.
What are the key properties of [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane?
[dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane has a molecular weight of 328.54 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silyl]oxy-dimethyl-(3,4,5-trideuterio-2-fluorophenyl)silane is sourced from PubChem (CID 122205893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).