3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide

C9H15F3N2O — CID 2802560

IUPAC3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide
SMILESCC(C)/N=C(/C(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-5(2)13-7(9(10,11)12)8(15)14-6(3)4/h5-6H,1-4H3,(H,14,15)/b13-7-
InChIKeyPMCHXAOZMYGJAM-QPEQYQDCSA-N
MW224.23 g/mol
LogP1.92
Rot. Bonds3

About 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide

3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide (PubChem CID 2802560) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide
PubChem CID2802560
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide
SMILESCC(C)/N=C(/C(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-5(2)13-7(9(10,11)12)8(15)14-6(3)4/h5-6H,1-4H3,(H,14,15)/b13-7-
InChIKeyPMCHXAOZMYGJAM-QPEQYQDCSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide 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 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide?
The IUPAC name of 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide (CID 2802560) is 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide is CC(C)/N=C(/C(=O)NC(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide?
The InChIKey is PMCHXAOZMYGJAM-QPEQYQDCSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-5(2)13-7(9(10,11)12)8(15)14-6(3)4/h5-6H,1-4H3,(H,14,15)/b13-7-.
What are the key properties of 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide?
3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide has a molecular weight of 224.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propan-2-yl-2-propan-2-yliminopropanamide is sourced from PubChem (CID 2802560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).