trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate

C10H16F3NO3Si — CID 22217354

IUPACtrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3Si/c1-18(2,3)17-8(15)7-5-4-6-14(7)9(16)10(11,12)13/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyMXCCXVYXGPJHBS-ZETCQYMHSA-N
MW283.32 g/mol
LogP1.92
Rot. Bonds2

About trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate

trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (PubChem CID 22217354) has the molecular formula C10H16F3NO3Si and a molecular weight of 283.32 g/mol. Its IUPAC name is trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
PubChem CID22217354
Molecular FormulaC10H16F3NO3Si
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Nametrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3Si/c1-18(2,3)17-8(15)7-5-4-6-14(7)9(16)10(11,12)13/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyMXCCXVYXGPJHBS-ZETCQYMHSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Tfa-L-proline methyl ester
CID 14535250
L-Proline, N-(trifluoroacetyl)-, butyl ester
CID 13783332
(2S,4R)-1-acetyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 178338100
(2S,4S)-1-acetyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 178338102
(2S,4R)-1-acetyl-4-fluoropyrrolidine-2-carboxylate
CID 178338103
(2S,4S)-1-acetyl-4-fluoropyrrolidine-2-carboxylate
CID 178338104
Proline, N-(trifluoroacetyl)-, methyl ester
CID 597111
Butyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 597113
Trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 597330
Trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
CID 620369
L-Proline, 1-(trifluoroacetyl)-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester, trans-
CID 22295281
methyl (2R)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 14535251

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (CID 22217354) is trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The InChIKey is MXCCXVYXGPJHBS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16F3NO3Si/c1-18(2,3)17-8(15)7-5-4-6-14(7)9(16)10(11,12)13/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 22217354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).