N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine

C10H8F3NO3 — CID 76985114

IUPACN-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine
SMILESON=C1COc2cc(OCC(F)(F)F)ccc21
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)5-17-6-1-2-7-8(14-15)4-16-9(7)3-6/h1-3,15H,4-5H2
InChIKeyOKFFEPQKPHKUGX-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.20
Rot. Bonds2

About N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine

N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine (PubChem CID 76985114) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine
PubChem CID76985114
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC NameN-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine
SMILESON=C1COc2cc(OCC(F)(F)F)ccc21
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)5-17-6-1-2-7-8(14-15)4-16-9(7)3-6/h1-3,15H,4-5H2
InChIKeyOKFFEPQKPHKUGX-UHFFFAOYSA-N
XLogP2.20
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[6-(2,2,2-trifluoroethoxy)-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 N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine (CID 76985114) is N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine is ON=C1COc2cc(OCC(F)(F)F)ccc21.
What is the InChIKey of N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The InChIKey is OKFFEPQKPHKUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)5-17-6-1-2-7-8(14-15)4-16-9(7)3-6/h1-3,15H,4-5H2.
What are the key properties of N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine?
N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine has a molecular weight of 247.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine is sourced from PubChem (CID 76985114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).