(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid

C8H5ClF2N2O2 — CID 87771572

IUPAC(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C(Cl)=N/Nc1cc(F)ccc1F
InChIInChI=1S/C8H5ClF2N2O2/c9-7(8(14)15)13-12-6-3-4(10)1-2-5(6)11/h1-3,12H,(H,14,15)/b13-7-
InChIKeyZPUPKVDPMYSKCL-QPEQYQDCSA-N
MW234.59 g/mol
LogP2.01
Rot. Bonds3

About (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid

(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid (PubChem CID 87771572) has the molecular formula C8H5ClF2N2O2 and a molecular weight of 234.59 g/mol. Its IUPAC name is (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid
PubChem CID87771572
Molecular FormulaC8H5ClF2N2O2
Molecular Weight234.59 g/mol
Exact Mass234.00
IUPAC Name(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid
SMILESO=C(O)/C(Cl)=N/Nc1cc(F)ccc1F
InChIInChI=1S/C8H5ClF2N2O2/c9-7(8(14)15)13-12-6-3-4(10)1-2-5(6)11/h1-3,12H,(H,14,15)/b13-7-
InChIKeyZPUPKVDPMYSKCL-QPEQYQDCSA-N
XLogP2.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.59
LogP ≤ 52.01
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

ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
CID 59664793
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
N-(2,4-difluorophenyl)-4-fluorobenzenecarbohydrazonoyl chloride
CID 145433145
(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169446
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
trans-(1R,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100103
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
N-(2,5-difluorophenyl)-2-hydroxyiminoacetamide
CID 86044839
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid?
The IUPAC name of (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid (CID 87771572) is (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid.
What is the SMILES notation for (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid?
The canonical SMILES for (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid is O=C(O)/C(Cl)=N/Nc1cc(F)ccc1F.
What is the InChIKey of (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid?
The InChIKey is ZPUPKVDPMYSKCL-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H5ClF2N2O2/c9-7(8(14)15)13-12-6-3-4(10)1-2-5(6)11/h1-3,12H,(H,14,15)/b13-7-.
What are the key properties of (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid?
(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid has a molecular weight of 234.59 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid is sourced from PubChem (CID 87771572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).