2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid

C8H14F3NO3 — CID 103230123

IUPAC2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid
SMILESCCOCCNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-15-4-3-12-5-6(7(13)14)8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyUEDFPGZYLAHAGG-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.88
Rot. Bonds7

About 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid

2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103230123) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103230123
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid
SMILESCCOCCNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-15-4-3-12-5-6(7(13)14)8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyUEDFPGZYLAHAGG-UHFFFAOYSA-N
XLogP0.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.88
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-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid (CID 103230123) is 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid is CCOCCNCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is UEDFPGZYLAHAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-15-4-3-12-5-6(7(13)14)8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid?
2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 229.20 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyethylamino)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103230123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).