trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate

C13H24F3NO4Si2 — CID 620369

IUPACtrimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO4Si2/c1-22(2,3)20-9-7-10(11(18)21-23(4,5)6)17(8-9)12(19)13(14,15)16/h9-10H,7-8H2,1-6H3
InChIKeyQLNHQMUXTLVSSX-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.75
Rot. Bonds4

About trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate

trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate (PubChem CID 620369) has the molecular formula C13H24F3NO4Si2 and a molecular weight of 371.50 g/mol. Its IUPAC name is trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
PubChem CID620369
Molecular FormulaC13H24F3NO4Si2
Molecular Weight371.50 g/mol
Exact Mass371.12
IUPAC Nametrimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO4Si2/c1-22(2,3)20-9-7-10(11(18)21-23(4,5)6)17(8-9)12(19)13(14,15)16/h9-10H,7-8H2,1-6H3
InChIKeyQLNHQMUXTLVSSX-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
CID 553925
Butan-2-yl 1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
CID 596215
4-Trifluoroacetoxy-1-(2,2,2-trifluoro-acetyl)-pyrrolidine-2-carboxylic acid, methyl ester
CID 596516
Trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 597330
Hydroxyproline, N,O-di(trifluoroacetyl)-, n-butyl ester
CID 15607432
L-Proline, 1-(trifluoroacetyl)-4-[(trifluoroacetyl)oxy]-, trimethylsilyl ester, trans-
CID 22214376
L-Proline, 1-(trifluoroacetyl)-4-[(trifluoroacetyl)oxy]-, 1-methylpropyl ester, trans-
CID 22217302
L-Proline, 1-(trifluoroacetyl)-, trimethylsilyl ester
CID 22217354
L-Proline, 1-(trifluoroacetyl)-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester, trans-
CID 22295281
N-acetyl-hydroxyproline trimethylsilyl ester
CID 129709843
trimethylsilyl (2S,4R)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
CID 57507541
butan-2-yl (2S,4R)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
CID 101640140

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The IUPAC name of trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate (CID 620369) is trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate.
What is the SMILES notation for trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The canonical SMILES for trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate is C[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C)CN1C(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The InChIKey is QLNHQMUXTLVSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO4Si2/c1-22(2,3)20-9-7-10(11(18)21-23(4,5)6)17(8-9)12(19)13(14,15)16/h9-10H,7-8H2,1-6H3.
What are the key properties of trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate has a molecular weight of 371.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate is sourced from PubChem (CID 620369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).