2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide

C7H8F6N2O2 — CID 5115581

IUPAC2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6N2O2/c8-6(9,10)4(16)14-2-1-3-15-5(17)7(11,12)13/h1-3H2,(H,14,16)(H,15,17)
InChIKeyJURYWYHVOYFKSV-UHFFFAOYSA-N
MW266.14 g/mol
LogP0.73
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide

2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide (PubChem CID 5115581) has the molecular formula C7H8F6N2O2 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
PubChem CID5115581
Molecular FormulaC7H8F6N2O2
Molecular Weight266.14 g/mol
Exact Mass266.05
IUPAC Name2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6N2O2/c8-6(9,10)4(16)14-2-1-3-15-5(17)7(11,12)13/h1-3H2,(H,14,16)(H,15,17)
InChIKeyJURYWYHVOYFKSV-UHFFFAOYSA-N
XLogP0.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]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 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide (CID 5115581) is 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide is O=C(NCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The InChIKey is JURYWYHVOYFKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6N2O2/c8-6(9,10)4(16)14-2-1-3-15-5(17)7(11,12)13/h1-3H2,(H,14,16)(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide has a molecular weight of 266.14 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide is sourced from PubChem (CID 5115581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).