N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine

C11H10F3NO2 — CID 117364183

IUPACN-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
SMILESCONCc1ccc2oc(C(F)(F)F)cc2c1
InChIInChI=1S/C11H10F3NO2/c1-16-15-6-7-2-3-9-8(4-7)5-10(17-9)11(12,13)14/h2-5,15H,6H2,1H3
InChIKeyWDRJXSJKEUJGLO-UHFFFAOYSA-N
MW245.20 g/mol
LogP3.10
Rot. Bonds3

About N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine

N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine (PubChem CID 117364183) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
PubChem CID117364183
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
SMILESCONCc1ccc2oc(C(F)(F)F)cc2c1
InChIInChI=1S/C11H10F3NO2/c1-16-15-6-7-2-3-9-8(4-7)5-10(17-9)11(12,13)14/h2-5,15H,6H2,1H3
InChIKeyWDRJXSJKEUJGLO-UHFFFAOYSA-N
XLogP3.10
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine 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-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine?
The IUPAC name of N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine (CID 117364183) is N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine.
What is the SMILES notation for N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine?
The canonical SMILES for N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine is CONCc1ccc2oc(C(F)(F)F)cc2c1.
What is the InChIKey of N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine?
The InChIKey is WDRJXSJKEUJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-16-15-6-7-2-3-9-8(4-7)5-10(17-9)11(12,13)14/h2-5,15H,6H2,1H3.
What are the key properties of N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine?
N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine has a molecular weight of 245.20 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine is sourced from PubChem (CID 117364183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).