(2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid

C12H15FN2O3 — CID 134101199

IUPAC(2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid
SMILESCCc1cc(F)c(N/N=C(\C)C(=O)O)cc1OC
InChIInChI=1S/C12H15FN2O3/c1-4-8-5-9(13)10(6-11(8)18-3)15-14-7(2)12(16)17/h5-6,15H,4H2,1-3H3,(H,16,17)/b14-7+
InChIKeyAGSXHSLSGRIHTE-VGOFMYFVSA-N
MW254.26 g/mol
LogP2.27
Rot. Bonds5

About (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid

(2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid (PubChem CID 134101199) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid
PubChem CID134101199
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name(2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid
SMILESCCc1cc(F)c(N/N=C(\C)C(=O)O)cc1OC
InChIInChI=1S/C12H15FN2O3/c1-4-8-5-9(13)10(6-11(8)18-3)15-14-7(2)12(16)17/h5-6,15H,4H2,1-3H3,(H,16,17)/b14-7+
InChIKeyAGSXHSLSGRIHTE-VGOFMYFVSA-N
XLogP2.27
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid (CID 134101199) is (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid is CCc1cc(F)c(N/N=C(\C)C(=O)O)cc1OC.
What is the InChIKey of (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid?
The InChIKey is AGSXHSLSGRIHTE-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-4-8-5-9(13)10(6-11(8)18-3)15-14-7(2)12(16)17/h5-6,15H,4H2,1-3H3,(H,16,17)/b14-7+.
What are the key properties of (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid?
(2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid has a molecular weight of 254.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-ethyl-2-fluoro-5-methoxyphenyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 134101199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).