2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid

C9H14F3NO5 — CID 177028617

IUPAC2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid
SMILESCN(CCOCCOCC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO5/c1-13(8(16)9(10,11)12)2-3-17-4-5-18-6-7(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyCGPHLKYYCKJQQI-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.12
Rot. Bonds8

About 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid

2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid (PubChem CID 177028617) has the molecular formula C9H14F3NO5 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid
PubChem CID177028617
Molecular FormulaC9H14F3NO5
Molecular Weight273.21 g/mol
Exact Mass273.08
IUPAC Name2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid
SMILESCN(CCOCCOCC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO5/c1-13(8(16)9(10,11)12)2-3-17-4-5-18-6-7(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyCGPHLKYYCKJQQI-UHFFFAOYSA-N
XLogP0.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.12
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid (CID 177028617) is 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid is CN(CCOCCOCC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid?
The InChIKey is CGPHLKYYCKJQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO5/c1-13(8(16)9(10,11)12)2-3-17-4-5-18-6-7(14)15/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid?
2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid has a molecular weight of 273.21 g/mol, XLogP of 0.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 177028617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).