3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid

C7H9F3O5 — CID 88878514

IUPAC3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid
SMILESO=C(O)CCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O5/c8-7(9,10)6(13)15-4-3-14-2-1-5(11)12/h1-4H2,(H,11,12)
InChIKeyMEUOTCCXKWDALG-UHFFFAOYSA-N
MW230.14 g/mol
LogP0.58
Rot. Bonds6

About 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid

3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid (PubChem CID 88878514) has the molecular formula C7H9F3O5 and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid
PubChem CID88878514
Molecular FormulaC7H9F3O5
Molecular Weight230.14 g/mol
Exact Mass230.04
IUPAC Name3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid
SMILESO=C(O)CCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O5/c8-7(9,10)6(13)15-4-3-14-2-1-5(11)12/h1-4H2,(H,11,12)
InChIKeyMEUOTCCXKWDALG-UHFFFAOYSA-N
XLogP0.58
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 50.58
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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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-(2-aminoperoxyethoxy)propanoic acid
CID 174249816

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid?
The IUPAC name of 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid (CID 88878514) is 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid?
The canonical SMILES for 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid is O=C(O)CCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid?
The InChIKey is MEUOTCCXKWDALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O5/c8-7(9,10)6(13)15-4-3-14-2-1-5(11)12/h1-4H2,(H,11,12).
What are the key properties of 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid?
3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid has a molecular weight of 230.14 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid is sourced from PubChem (CID 88878514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).