bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate

C14H18F4O4Si2 — CID 139600067

IUPACbis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate
SMILESC[Si](C)(C)OC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H18F4O4Si2/c1-23(2,3)21-13(19)7-8(14(20)22-24(4,5)6)10(16)12(18)11(17)9(7)15/h1-6H3
InChIKeyZOQNBNQNQNPGFV-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.23
Rot. Bonds4

About bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate

bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate (PubChem CID 139600067) has the molecular formula C14H18F4O4Si2 and a molecular weight of 382.46 g/mol. Its IUPAC name is bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate
PubChem CID139600067
Molecular FormulaC14H18F4O4Si2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Namebis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate
SMILESC[Si](C)(C)OC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H18F4O4Si2/c1-23(2,3)21-13(19)7-8(14(20)22-24(4,5)6)10(16)12(18)11(17)9(7)15/h1-6H3
InChIKeyZOQNBNQNQNPGFV-UHFFFAOYSA-N
XLogP4.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate?
The IUPAC name of bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate (CID 139600067) is bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate.
What is the SMILES notation for bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate?
The canonical SMILES for bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate is C[Si](C)(C)OC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate?
The InChIKey is ZOQNBNQNQNPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O4Si2/c1-23(2,3)21-13(19)7-8(14(20)22-24(4,5)6)10(16)12(18)11(17)9(7)15/h1-6H3.
What are the key properties of bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate?
bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate has a molecular weight of 382.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3,4,5,6-tetrafluorobenzene-1,2-dicarboxylate is sourced from PubChem (CID 139600067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).