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'}

Analyze 2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
CID 118073252
ethyl trimethylsilyl hydrogen phosphate
CID 19079822
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-butan-2-ylbutan-2-amine
CID 171928293
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
bis(2,2,3,3-tetrafluorobutyl) hydrogen phosphate
CID 161005939
[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid
CID 87580353
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064

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).