2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate

C5H12F3O4PSi — CID 174547612

IUPAC2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
SMILESC[Si](C)(C)OP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C5H12F3O4PSi/c1-14(2,3)12-13(9,10)11-4-5(6,7)8/h4H2,1-3H3,(H,9,10)
InChIKeySDXQNXKOSNYWLT-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.52
Rot. Bonds4

About 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate

2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate (PubChem CID 174547612) has the molecular formula C5H12F3O4PSi and a molecular weight of 252.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
PubChem CID174547612
Molecular FormulaC5H12F3O4PSi
Molecular Weight252.20 g/mol
Exact Mass252.02
IUPAC Name2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
SMILESC[Si](C)(C)OP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C5H12F3O4PSi/c1-14(2,3)12-13(9,10)11-4-5(6,7)8/h4H2,1-3H3,(H,9,10)
InChIKeySDXQNXKOSNYWLT-UHFFFAOYSA-N
XLogP2.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate?
The IUPAC name of 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate (CID 174547612) is 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate.
What is the SMILES notation for 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate?
The canonical SMILES for 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate is C[Si](C)(C)OP(=O)(O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate?
The InChIKey is SDXQNXKOSNYWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3O4PSi/c1-14(2,3)12-13(9,10)11-4-5(6,7)8/h4H2,1-3H3,(H,9,10).
What are the key properties of 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate?
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate has a molecular weight of 252.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate is sourced from PubChem (CID 174547612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).