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

C8H14F3N3O2Si — CID 18632349

IUPAC(4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
SMILESC[Si](C)(C)N[C@H]1CN(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)/t5-/m0/s1
InChIKeyBMBXXQDWFPAUFW-YFKPBYRVSA-N
MW269.30 g/mol
LogP0.22
Rot. Bonds2

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

(4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one (PubChem CID 18632349) has the molecular formula C8H14F3N3O2Si and a molecular weight of 269.30 g/mol. Its IUPAC name is (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one.

Molecular Properties

Compound Name(4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
PubChem CID18632349
Molecular FormulaC8H14F3N3O2Si
Molecular Weight269.30 g/mol
Exact Mass269.08
IUPAC Name(4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
SMILESC[Si](C)(C)N[C@H]1CN(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)/t5-/m0/s1
InChIKeyBMBXXQDWFPAUFW-YFKPBYRVSA-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'}

Analyze (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
The IUPAC name of (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one (CID 18632349) is (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one.
What is the SMILES notation for (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
The canonical SMILES for (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one is C[Si](C)(C)N[C@H]1CN(C(=O)C(F)(F)F)NC1=O.
What is the InChIKey of (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
The InChIKey is BMBXXQDWFPAUFW-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one?
(4S)-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 (4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one is sourced from PubChem (CID 18632349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).