(NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine

C8H6FNO2 — CID 59726910

IUPAC(NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine
SMILESO/N=C1\COc2cccc(F)c21
InChIInChI=1S/C8H6FNO2/c9-5-2-1-3-7-8(5)6(10-11)4-12-7/h1-3,11H,4H2/b10-6+
InChIKeyFMNWEXPEWZLIJJ-UXBLZVDNSA-N
MW167.14 g/mol
LogP1.40
Rot. Bonds

About (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine

(NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine (PubChem CID 59726910) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine
PubChem CID59726910
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name(NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine
SMILESO/N=C1\COc2cccc(F)c21
InChIInChI=1S/C8H6FNO2/c9-5-2-1-3-7-8(5)6(10-11)4-12-7/h1-3,11H,4H2/b10-6+
InChIKeyFMNWEXPEWZLIJJ-UXBLZVDNSA-N
XLogP1.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine (CID 59726910) is (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine is O/N=C1\COc2cccc(F)c21.
What is the InChIKey of (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine?
The InChIKey is FMNWEXPEWZLIJJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-5-2-1-3-7-8(5)6(10-11)4-12-7/h1-3,11H,4H2/b10-6+.
What are the key properties of (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine?
(NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine has a molecular weight of 167.14 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-fluoro-1-benzofuran-3-ylidene)hydroxylamine is sourced from PubChem (CID 59726910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).