2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide

C11H13F3N2O3 — CID 100773295

IUPAC2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide
SMILESCOCCOc1ccc(NC(=O)C(F)(F)F)c(C)n1
InChIInChI=1S/C11H13F3N2O3/c1-7-8(16-10(17)11(12,13)14)3-4-9(15-7)19-6-5-18-2/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeySYVQCWLOHXGCNL-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.92
Rot. Bonds5

About 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide

2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide (PubChem CID 100773295) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide
PubChem CID100773295
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide
SMILESCOCCOc1ccc(NC(=O)C(F)(F)F)c(C)n1
InChIInChI=1S/C11H13F3N2O3/c1-7-8(16-10(17)11(12,13)14)3-4-9(15-7)19-6-5-18-2/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeySYVQCWLOHXGCNL-UHFFFAOYSA-N
XLogP1.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525
2-methoxy-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 133205585
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100774620
N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methoxy-2,4-dimethylpentanamide
CID 133205516
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 100778049
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
CID 100776429
2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
2-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)-2-(2-methylpropyl)pentanamide
CID 100776545
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
(2S)-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 100778190

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide (CID 100773295) is 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide is COCCOc1ccc(NC(=O)C(F)(F)F)c(C)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide?
The InChIKey is SYVQCWLOHXGCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7-8(16-10(17)11(12,13)14)3-4-9(15-7)19-6-5-18-2/h3-4H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide?
2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide has a molecular weight of 278.23 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 100773295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).