1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one

C8H14F3N3O2Si — CID 21242239

IUPAC1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
SMILESC[Si](C)(C)NC1CN(C(=O)C(F)(F)F)NC1=O
InChIInChI=1S/C8H14F3N3O2Si/c1-17(2,3)13-5-4-14(12-6(5)15)7(16)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,15)
InChIKeyBMBXXQDWFPAUFW-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.22
Rot. Bonds2

About 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one

1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one (PubChem CID 21242239) has the molecular formula C8H14F3N3O2Si and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
PubChem CID21242239
Molecular FormulaC8H14F3N3O2Si
Molecular Weight269.30 g/mol
Exact Mass269.08
IUPAC Name1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
SMILESC[Si](C)(C)NC1CN(C(=O)C(F)(F)F)NC1=O
InChIInChI=1S/C8H14F3N3O2Si/c1-17(2,3)13-5-4-14(12-6(5)15)7(16)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,15)
InChIKeyBMBXXQDWFPAUFW-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
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 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one (CID 21242239) is 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one is C[Si](C)(C)NC1CN(C(=O)C(F)(F)F)NC1=O.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
The InChIKey is BMBXXQDWFPAUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2Si/c1-17(2,3)13-5-4-14(12-6(5)15)7(16)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,15).
What are the key properties of 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one has a molecular weight of 269.30 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one is sourced from PubChem (CID 21242239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).