(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid

C9H8F2N2O2 — CID 21298987

IUPAC(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C9H8F2N2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-4,13H,1H3,(H,14,15)/b12-5-
InChIKeyUXZLHCVEHFXLDT-XGICHPGQSA-N
MW214.17 g/mol
LogP1.84
Rot. Bonds3

About (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid

(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid (PubChem CID 21298987) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
PubChem CID21298987
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C9H8F2N2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-4,13H,1H3,(H,14,15)/b12-5-
InChIKeyUXZLHCVEHFXLDT-XGICHPGQSA-N
XLogP1.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.84
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

2-[(Z)-C-acetyl-N-(2,4-difluoroanilino)carbonimidoyl]sulfanylbenzoic acid
CID 46259255
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
CID 9058365
N-(2,4-difluorophenyl)-4-fluorobenzenecarbohydrazonoyl chloride
CID 145433145
(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid
CID 87771572
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
CID 9058461
ethyl (2E)-2-[[2-(2,2-dimethylpropyl)-4-fluorophenyl]hydrazinylidene]propanoate
CID 146363539
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 18224635
3-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate
CID 9390750
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
CID 4067906
2-[N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]naphthalen-1-ol
CID 5237787
(2E)-2-[(5-chloro-3,6-difluoro-2-pyridinyl)hydrazinylidene]propanoic acid
CID 138663022

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid (CID 21298987) is (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid is C/C(=N/Nc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid?
The InChIKey is UXZLHCVEHFXLDT-XGICHPGQSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-5(9(14)15)12-13-8-3-2-6(10)4-7(8)11/h2-4,13H,1H3,(H,14,15)/b12-5-.
What are the key properties of (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid?
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid has a molecular weight of 214.17 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 21298987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).