2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid

C7H10F3NO4 — CID 110495190

IUPAC2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid
SMILESCC(OCCNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO4/c1-4(5(12)13)15-3-2-11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyMQEDNECGDKMMMO-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.15
Rot. Bonds5

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

2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid (PubChem CID 110495190) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid
PubChem CID110495190
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid
SMILESCC(OCCNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO4/c1-4(5(12)13)15-3-2-11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyMQEDNECGDKMMMO-UHFFFAOYSA-N
XLogP0.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid?
The IUPAC name of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid (CID 110495190) is 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid?
The canonical SMILES for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid is CC(OCCNC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid?
The InChIKey is MQEDNECGDKMMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c1-4(5(12)13)15-3-2-11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid?
2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid has a molecular weight of 229.15 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]propanoic acid is sourced from PubChem (CID 110495190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).