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

C10H16F3NO3Si — CID 597330

IUPACtrimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCN1C(=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
InChIKeyMXCCXVYXGPJHBS-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.92
Rot. Bonds2

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

trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (PubChem CID 597330) has the molecular formula C10H16F3NO3Si and a molecular weight of 283.32 g/mol. Its IUPAC name is trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
PubChem CID597330
Molecular FormulaC10H16F3NO3Si
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Nametrimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCCN1C(=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
InChIKeyMXCCXVYXGPJHBS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate (CID 597330) is trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is C[Si](C)(C)OC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
The InChIKey is MXCCXVYXGPJHBS-UHFFFAOYSA-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.
What are the key properties of trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate?
trimethylsilyl 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 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 597330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).