2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide

C12H17F3N2O5 — CID 164820880

IUPAC2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESO=C1C=CC(O)N1CCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O5/c13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h1-2,9,18H,3-8H2,(H,16,20)
InChIKeyJWAPIGBCHPIDDC-UHFFFAOYSA-N
MW326.27 g/mol
LogP-0.59
Rot. Bonds9

About 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164820880) has the molecular formula C12H17F3N2O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide
PubChem CID164820880
Molecular FormulaC12H17F3N2O5
Molecular Weight326.27 g/mol
Exact Mass326.11
IUPAC Name2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESO=C1C=CC(O)N1CCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O5/c13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h1-2,9,18H,3-8H2,(H,16,20)
InChIKeyJWAPIGBCHPIDDC-UHFFFAOYSA-N
XLogP-0.59
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide (CID 164820880) is 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide is O=C1C=CC(O)N1CCOCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is JWAPIGBCHPIDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O5/c13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h1-2,9,18H,3-8H2,(H,16,20).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 326.27 g/mol, XLogP of -0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164820880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).