N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide

C6H11F3N2O2 — CID 107529803

IUPACN-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
SMILESCC(=O)NCCNOCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-5(12)10-2-3-11-13-4-6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyOWHLIVAISOVSJJ-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.21
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide

N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide (PubChem CID 107529803) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
PubChem CID107529803
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
SMILESCC(=O)NCCNOCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-5(12)10-2-3-11-13-4-6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyOWHLIVAISOVSJJ-UHFFFAOYSA-N
XLogP0.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide (CID 107529803) is N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide is CC(=O)NCCNOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide?
The InChIKey is OWHLIVAISOVSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-5(12)10-2-3-11-13-4-6(7,8)9/h11H,2-4H2,1H3,(H,10,12).
What are the key properties of N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide?
N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide has a molecular weight of 200.16 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide is sourced from PubChem (CID 107529803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).