(2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid

C8H7FN2O2 — CID 47003147

IUPAC(2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C=N/Nc1ccc(F)cc1
InChIInChI=1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-10-5-8(12)13/h1-5,11H,(H,12,13)/b10-5+
InChIKeyXPKDHLDDJGUSBC-BJMVGYQFSA-N
MW182.15 g/mol
LogP1.31
Rot. Bonds3

About (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid

(2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid (PubChem CID 47003147) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid
PubChem CID47003147
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name(2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C=N/Nc1ccc(F)cc1
InChIInChI=1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-10-5-8(12)13/h1-5,11H,(H,12,13)/b10-5+
InChIKeyXPKDHLDDJGUSBC-BJMVGYQFSA-N
XLogP1.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluorophenyl)hydrazinylidene]acetic acid?
The IUPAC name of (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid (CID 47003147) is (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid.
What is the SMILES notation for (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid?
The canonical SMILES for (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid is O=C(O)/C=N/Nc1ccc(F)cc1.
What is the InChIKey of (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid?
The InChIKey is XPKDHLDDJGUSBC-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-10-5-8(12)13/h1-5,11H,(H,12,13)/b10-5+.
What are the key properties of (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid?
(2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid has a molecular weight of 182.15 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-fluorophenyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 47003147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).