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

C9H9FN2O2 — CID 156507863

IUPAC(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H9FN2O2/c1-6(9(13)14)11-12-8-4-2-7(10)3-5-8/h2-5,12H,1H3,(H,13,14)/b11-6+
InChIKeyUIEBYZDSFARHED-IZZDOVSWSA-N
MW196.18 g/mol
LogP1.70
Rot. Bonds3

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

(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid (PubChem CID 156507863) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
PubChem CID156507863
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H9FN2O2/c1-6(9(13)14)11-12-8-4-2-7(10)3-5-8/h2-5,12H,1H3,(H,13,14)/b11-6+
InChIKeyUIEBYZDSFARHED-IZZDOVSWSA-N
XLogP1.70
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.70
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

(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid
CID 155255266
(2Z)-2-[(4-fluorophenyl)hydrazinylidene]propanal
CID 86614651
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid
CID 134113266
3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
CID 141384701
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride
CID 138391833
(2Z)-2-amino-2-[(4-fluorophenyl)hydrazinylidene]-N-phenylacetamide
CID 134920026
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
CID 102524209
N-(4-fluoroanilino)-3-methyl-2-oxobutanimidoyl cyanide
CID 538555
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid (CID 156507863) is (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid is C/C(=N\Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid?
The InChIKey is UIEBYZDSFARHED-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-6(9(13)14)11-12-8-4-2-7(10)3-5-8/h2-5,12H,1H3,(H,13,14)/b11-6+.
What are the key properties of (2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid?
(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid has a molecular weight of 196.18 g/mol, XLogP of 1.70, 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]propanoic acid is sourced from PubChem (CID 156507863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).