N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C9H10Br2F3NO2 — CID 63827829

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cc(Br)c(Br)o1
InChIInChI=1S/C9H10Br2F3NO2/c10-7-3-6(17-8(7)11)4-15-1-2-16-5-9(12,13)14/h3,15H,1-2,4-5H2
InChIKeyIGQSORRAUFFZIM-UHFFFAOYSA-N
MW380.99 g/mol
LogP3.47
Rot. Bonds6

About N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63827829) has the molecular formula C9H10Br2F3NO2 and a molecular weight of 380.99 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63827829
Molecular FormulaC9H10Br2F3NO2
Molecular Weight380.99 g/mol
Exact Mass378.90
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cc(Br)c(Br)o1
InChIInChI=1S/C9H10Br2F3NO2/c10-7-3-6(17-8(7)11)4-15-1-2-16-5-9(12,13)14/h3,15H,1-2,4-5H2
InChIKeyIGQSORRAUFFZIM-UHFFFAOYSA-N
XLogP3.47
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.99
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine 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-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63827829) is N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IGQSORRAUFFZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2F3NO2/c10-7-3-6(17-8(7)11)4-15-1-2-16-5-9(12,13)14/h3,15H,1-2,4-5H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 380.99 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63827829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).