(Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium

C9H10FN5O7 — CID 71683099

IUPAC(Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium
SMILESCN(CCO)/[N+]([O-])=N/Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN5O7/c1-12(2-3-16)15(21)11-22-9-4-6(10)7(13(17)18)5-8(9)14(19)20/h4-5,16H,2-3H2,1H3/b15-11-
InChIKeyWNRFQLNAXIJAQW-PTNGSMBKSA-N
MW319.21 g/mol
LogP0.74
Rot. Bonds7

About (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium

(Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium (PubChem CID 71683099) has the molecular formula C9H10FN5O7 and a molecular weight of 319.21 g/mol. Its IUPAC name is (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium.

Molecular Properties

Compound Name(Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium
PubChem CID71683099
Molecular FormulaC9H10FN5O7
Molecular Weight319.21 g/mol
Exact Mass319.06
IUPAC Name(Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium
SMILESCN(CCO)/[N+]([O-])=N/Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN5O7/c1-12(2-3-16)15(21)11-22-9-4-6(10)7(13(17)18)5-8(9)14(19)20/h4-5,16H,2-3H2,1H3/b15-11-
InChIKeyWNRFQLNAXIJAQW-PTNGSMBKSA-N
XLogP0.74
TPSA157.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-(4-ethoxycarbonylpiperazin-1-yl)-(5-fluoro-2,4-dinitrophenoxy)imino-oxidoazanium
CID 11668504
(Z)-diethylamino-[5-[(Z)-[dimethylamino(oxido)azaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium
CID 24767428
(Z)-diethylamino-[5-[(E)-[diethylamino(oxido)azaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium
CID 44413708
(Z)-dimethylamino-[5-[(Z)-[[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium
CID 44588026
(Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium
CID 10566039
(Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium
CID 10543033
(Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium
CID 10613918
(Z)-(2,4-dinitrophenoxy)imino-[di(propan-2-yl)amino]-oxidoazanium
CID 24882336
(Z)-(2,6-dimethylpiperidin-1-yl)-(2,4-dinitrophenoxy)imino-oxidoazanium
CID 24882337
(E)-dimethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium
CID 44413749
(E)-(2,4-dinitrophenoxy)imino-(4-methylpiperazin-1-yl)-oxidoazanium
CID 44413756
(E)-dimethylamino-(5-fluoro-2,4-dinitrophenoxy)imino-oxidoazanium
CID 44413823

Frequently Asked Questions

What is the IUPAC name of (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium?
The IUPAC name of (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium (CID 71683099) is (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium.
What is the SMILES notation for (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium?
The canonical SMILES for (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium is CN(CCO)/[N+]([O-])=N/Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium?
The InChIKey is WNRFQLNAXIJAQW-PTNGSMBKSA-N. The full InChI is InChI=1S/C9H10FN5O7/c1-12(2-3-16)15(21)11-22-9-4-6(10)7(13(17)18)5-8(9)14(19)20/h4-5,16H,2-3H2,1H3/b15-11-.
What are the key properties of (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium?
(Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium has a molecular weight of 319.21 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(5-fluoro-2,4-dinitrophenoxy)imino-[2-hydroxyethyl(methyl)amino]-oxidoazanium is sourced from PubChem (CID 71683099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).