2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate

C5H12F3NO2Si — CID 174501695

IUPAC2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate
SMILESC[Si](C)(C)NC(=O)C(F)(F)F.O
InChIInChI=1S/C5H10F3NOSi.H2O/c1-11(2,3)9-4(10)5(6,7)8;/h1-3H3,(H,9,10);1H2
InChIKeyYAQHLZWSHGWHIM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.68
Rot. Bonds1

About 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate

2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate (PubChem CID 174501695) has the molecular formula C5H12F3NO2Si and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate.

Molecular Properties

Compound Name2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate
PubChem CID174501695
Molecular FormulaC5H12F3NO2Si
Molecular Weight203.24 g/mol
Exact Mass203.06
IUPAC Name2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate
SMILESC[Si](C)(C)NC(=O)C(F)(F)F.O
InChIInChI=1S/C5H10F3NOSi.H2O/c1-11(2,3)9-4(10)5(6,7)8;/h1-3H3,(H,9,10);1H2
InChIKeyYAQHLZWSHGWHIM-UHFFFAOYSA-N
XLogP0.68
TPSA60.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate?
The IUPAC name of 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate (CID 174501695) is 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate.
What is the SMILES notation for 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate?
The canonical SMILES for 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate is C[Si](C)(C)NC(=O)C(F)(F)F.O.
What is the InChIKey of 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate?
The InChIKey is YAQHLZWSHGWHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NOSi.H2O/c1-11(2,3)9-4(10)5(6,7)8;/h1-3H3,(H,9,10);1H2.
What are the key properties of 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate?
2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate has a molecular weight of 203.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-trimethylsilylacetamide;hydrate is sourced from PubChem (CID 174501695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).