(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid

C10H9FN2O3 — CID 102524209

IUPAC(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\NC(=O)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H9FN2O3/c1-6(10(15)16)12-13-9(14)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,13,14)(H,15,16)/b12-6+
InChIKeySEZPIRHGXPXSLQ-WUXMJOGZSA-N
MW224.19 g/mol
LogP1.02
Rot. Bonds3

About (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid

(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid (PubChem CID 102524209) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
PubChem CID102524209
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\NC(=O)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H9FN2O3/c1-6(10(15)16)12-13-9(14)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,13,14)(H,15,16)/b12-6+
InChIKeySEZPIRHGXPXSLQ-WUXMJOGZSA-N
XLogP1.02
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.02
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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Related Compounds

(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-fluoro-N-[(Z)-[4-(3-fluoroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5371304
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
3-fluoro-N-hydroxybenzamide
CID 5082377
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-fluorobenzamide
CID 4662875
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid (CID 102524209) is (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid is C/C(=N\NC(=O)c1cccc(F)c1)C(=O)O.
What is the InChIKey of (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid?
The InChIKey is SEZPIRHGXPXSLQ-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-6(10(15)16)12-13-9(14)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,13,14)(H,15,16)/b12-6+.
What are the key properties of (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid?
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid has a molecular weight of 224.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 102524209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).