bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate

C14H24F6O6Si2 — CID 88550840

IUPACbis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate
SMILESC[Si](C)(C)OC(C(=O)OCC(F)(F)F)C(O[Si](C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C14H24F6O6Si2/c1-27(2,3)25-9(11(21)23-7-13(15,16)17)10(26-28(4,5)6)12(22)24-8-14(18,19)20/h9-10H,7-8H2,1-6H3
InChIKeyUIEXVWJGXVNPOQ-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.64
Rot. Bonds9

About bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate

bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 88550840) has the molecular formula C14H24F6O6Si2 and a molecular weight of 458.50 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID88550840
Molecular FormulaC14H24F6O6Si2
Molecular Weight458.50 g/mol
Exact Mass458.10
IUPAC Namebis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate
SMILESC[Si](C)(C)OC(C(=O)OCC(F)(F)F)C(O[Si](C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C14H24F6O6Si2/c1-27(2,3)25-9(11(21)23-7-13(15,16)17)10(26-28(4,5)6)12(22)24-8-14(18,19)20/h9-10H,7-8H2,1-6H3
InChIKeyUIEXVWJGXVNPOQ-UHFFFAOYSA-N
XLogP3.64
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate (CID 88550840) is bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate is C[Si](C)(C)OC(C(=O)OCC(F)(F)F)C(O[Si](C)(C)C)C(=O)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is UIEXVWJGXVNPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6O6Si2/c1-27(2,3)25-9(11(21)23-7-13(15,16)17)10(26-28(4,5)6)12(22)24-8-14(18,19)20/h9-10H,7-8H2,1-6H3.
What are the key properties of bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate?
bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 458.50 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) 2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 88550840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).