trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate

C12H15F6NO5Si — CID 22214376

IUPACtrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1CC(OC(=O)C(F)(F)F)CN1C(=O)C(F)(F)F
InChIInChI=1S/C12H15F6NO5Si/c1-25(2,3)24-8(20)7-4-6(23-10(22)12(16,17)18)5-19(7)9(21)11(13,14)15/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyPYCYPPPMVDFVGV-MLWJPKLSSA-N
MW395.33 g/mol
LogP2.00
Rot. Bonds3

About trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate

trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate (PubChem CID 22214376) has the molecular formula C12H15F6NO5Si and a molecular weight of 395.33 g/mol. Its IUPAC name is trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
PubChem CID22214376
Molecular FormulaC12H15F6NO5Si
Molecular Weight395.33 g/mol
Exact Mass395.06
IUPAC Nametrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1CC(OC(=O)C(F)(F)F)CN1C(=O)C(F)(F)F
InChIInChI=1S/C12H15F6NO5Si/c1-25(2,3)24-8(20)7-4-6(23-10(22)12(16,17)18)5-19(7)9(21)11(13,14)15/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyPYCYPPPMVDFVGV-MLWJPKLSSA-N
XLogP2.00
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
The IUPAC name of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate (CID 22214376) is trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate.
What is the SMILES notation for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
The canonical SMILES for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate is C[Si](C)(C)OC(=O)[C@@H]1CC(OC(=O)C(F)(F)F)CN1C(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
The InChIKey is PYCYPPPMVDFVGV-MLWJPKLSSA-N. The full InChI is InChI=1S/C12H15F6NO5Si/c1-25(2,3)24-8(20)7-4-6(23-10(22)12(16,17)18)5-19(7)9(21)11(13,14)15/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate has a molecular weight of 395.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 22214376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).