2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O2 — CID 62385625

IUPAC2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(8(13)15)6-1-3-16-4-2-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyJLMVGOWDLVZCGZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.42
Rot. Bonds4

About 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 62385625) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID62385625
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(8(13)15)6-1-3-16-4-2-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyJLMVGOWDLVZCGZ-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide 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 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 62385625) is 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JLMVGOWDLVZCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(8(13)15)6-1-3-16-4-2-6/h6-7,14H,1-5H2,(H2,13,15).
What are the key properties of 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 62385625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).