(2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid

C8H6F2N4O2 — CID 177169504

IUPAC(2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid
SMILESN/C(=N\N=N\c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C8H6F2N4O2/c9-4-1-2-6(5(10)3-4)12-14-13-7(11)8(15)16/h1-3H,(H,15,16)(H2,11,12,13)
InChIKeyPNMOMORUYARRPY-UHFFFAOYSA-N
MW228.16 g/mol
LogP1.41
Rot. Bonds2

About (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid

(2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid (PubChem CID 177169504) has the molecular formula C8H6F2N4O2 and a molecular weight of 228.16 g/mol. Its IUPAC name is (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid
PubChem CID177169504
Molecular FormulaC8H6F2N4O2
Molecular Weight228.16 g/mol
Exact Mass228.05
IUPAC Name(2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid
SMILESN/C(=N\N=N\c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C8H6F2N4O2/c9-4-1-2-6(5(10)3-4)12-14-13-7(11)8(15)16/h1-3H,(H,15,16)(H2,11,12,13)
InChIKeyPNMOMORUYARRPY-UHFFFAOYSA-N
XLogP1.41
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid?
The IUPAC name of (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid (CID 177169504) is (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid.
What is the SMILES notation for (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid?
The canonical SMILES for (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid is N/C(=N\N=N\c1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid?
The InChIKey is PNMOMORUYARRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2/c9-4-1-2-6(5(10)3-4)12-14-13-7(11)8(15)16/h1-3H,(H,15,16)(H2,11,12,13).
What are the key properties of (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid?
(2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid has a molecular weight of 228.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid is sourced from PubChem (CID 177169504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).