2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide

C11H21F3N2O5 — CID 154956822

IUPAC2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCOOCCNCCO)C(=O)C(F)(F)F
InChIInChI=1S/C11H21F3N2O5/c1-19-8-4-16(10(18)11(12,13)14)5-9-21-20-7-3-15-2-6-17/h15,17H,2-9H2,1H3
InChIKeyOIFQSAJVCDXZKZ-UHFFFAOYSA-N
MW318.29 g/mol
LogP-0.45
Rot. Bonds12

About 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide

2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide (PubChem CID 154956822) has the molecular formula C11H21F3N2O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide
PubChem CID154956822
Molecular FormulaC11H21F3N2O5
Molecular Weight318.29 g/mol
Exact Mass318.14
IUPAC Name2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCOOCCNCCO)C(=O)C(F)(F)F
InChIInChI=1S/C11H21F3N2O5/c1-19-8-4-16(10(18)11(12,13)14)5-9-21-20-7-3-15-2-6-17/h15,17H,2-9H2,1H3
InChIKeyOIFQSAJVCDXZKZ-UHFFFAOYSA-N
XLogP-0.45
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide (CID 154956822) is 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide is COCCN(CCOOCCNCCO)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is OIFQSAJVCDXZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O5/c1-19-8-4-16(10(18)11(12,13)14)5-9-21-20-7-3-15-2-6-17/h15,17H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide?
2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 318.29 g/mol, XLogP of -0.45, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 154956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).