ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate

C13H18FNO4 — CID 107690318

IUPACethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
SMILESCCOC(=O)C(NCCOC)c1ccc(O)c(F)c1
InChIInChI=1S/C13H18FNO4/c1-3-19-13(17)12(15-6-7-18-2)9-4-5-11(16)10(14)8-9/h4-5,8,12,15-16H,3,6-7H2,1-2H3
InChIKeyAGIKFUYNZDEHPH-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.37
Rot. Bonds7

About ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate

ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate (PubChem CID 107690318) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
PubChem CID107690318
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
SMILESCCOC(=O)C(NCCOC)c1ccc(O)c(F)c1
InChIInChI=1S/C13H18FNO4/c1-3-19-13(17)12(15-6-7-18-2)9-4-5-11(16)10(14)8-9/h4-5,8,12,15-16H,3,6-7H2,1-2H3
InChIKeyAGIKFUYNZDEHPH-UHFFFAOYSA-N
XLogP1.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate?
The IUPAC name of ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate (CID 107690318) is ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate.
What is the SMILES notation for ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate?
The canonical SMILES for ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate is CCOC(=O)C(NCCOC)c1ccc(O)c(F)c1.
What is the InChIKey of ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate?
The InChIKey is AGIKFUYNZDEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-3-19-13(17)12(15-6-7-18-2)9-4-5-11(16)10(14)8-9/h4-5,8,12,15-16H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate?
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate has a molecular weight of 271.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 107690318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).