(NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine

C9H6F3NO2 — CID 59083985

IUPAC(NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine
SMILESO/N=C1\COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-6-7(13-14)4-15-8(6)3-5/h1-3,14H,4H2/b13-7+
InChIKeyGCPJMTYSFFPUQO-NTUHNPAUSA-N
MW217.15 g/mol
LogP2.28
Rot. Bonds

About (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine

(NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine (PubChem CID 59083985) has the molecular formula C9H6F3NO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine
PubChem CID59083985
Molecular FormulaC9H6F3NO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name(NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine
SMILESO/N=C1\COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-6-7(13-14)4-15-8(6)3-5/h1-3,14H,4H2/b13-7+
InChIKeyGCPJMTYSFFPUQO-NTUHNPAUSA-N
XLogP2.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 52.28
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'}

Analyze (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine (CID 59083985) is (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine is O/N=C1\COc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine?
The InChIKey is GCPJMTYSFFPUQO-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-6-7(13-14)4-15-8(6)3-5/h1-3,14H,4H2/b13-7+.
What are the key properties of (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine?
(NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine has a molecular weight of 217.15 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]hydroxylamine is sourced from PubChem (CID 59083985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).