2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide

C12H22F3NO6 — CID 155703421

IUPAC2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESO=C(NCCOCCOCCOCCOCCO)C(F)(F)F
InChIInChI=1S/C12H22F3NO6/c13-12(14,15)11(18)16-1-3-19-5-7-21-9-10-22-8-6-20-4-2-17/h17H,1-10H2,(H,16,18)
InChIKeyVQCLJSXKYJSGIB-UHFFFAOYSA-N
MW333.30 g/mol
LogP-0.28
Rot. Bonds14

About 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 155703421) has the molecular formula C12H22F3NO6 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID155703421
Molecular FormulaC12H22F3NO6
Molecular Weight333.30 g/mol
Exact Mass333.14
IUPAC Name2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESO=C(NCCOCCOCCOCCOCCO)C(F)(F)F
InChIInChI=1S/C12H22F3NO6/c13-12(14,15)11(18)16-1-3-19-5-7-21-9-10-22-8-6-20-4-2-17/h17H,1-10H2,(H,16,18)
InChIKeyVQCLJSXKYJSGIB-UHFFFAOYSA-N
XLogP-0.28
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 155703421) is 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide is O=C(NCCOCCOCCOCCOCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is VQCLJSXKYJSGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO6/c13-12(14,15)11(18)16-1-3-19-5-7-21-9-10-22-8-6-20-4-2-17/h17H,1-10H2,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 333.30 g/mol, XLogP of -0.28, 14 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-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 155703421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).