2,3,5,6-tetrafluoro-N,4-dimethoxyaniline

C8H7F4NO2 — CID 87932656

IUPAC2,3,5,6-tetrafluoro-N,4-dimethoxyaniline
SMILESCONc1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C8H7F4NO2/c1-14-8-5(11)3(9)7(13-15-2)4(10)6(8)12/h13H,1-2H3
InChIKeyDMHKEHKEPJVUBL-UHFFFAOYSA-N
MW225.14 g/mol
LogP2.22
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline

2,3,5,6-tetrafluoro-N,4-dimethoxyaniline (PubChem CID 87932656) has the molecular formula C8H7F4NO2 and a molecular weight of 225.14 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N,4-dimethoxyaniline
PubChem CID87932656
Molecular FormulaC8H7F4NO2
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name2,3,5,6-tetrafluoro-N,4-dimethoxyaniline
SMILESCONc1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C8H7F4NO2/c1-14-8-5(11)3(9)7(13-15-2)4(10)6(8)12/h13H,1-2H3
InChIKeyDMHKEHKEPJVUBL-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline 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 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline (CID 87932656) is 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline is CONc1c(F)c(F)c(OC)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline?
The InChIKey is DMHKEHKEPJVUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2/c1-14-8-5(11)3(9)7(13-15-2)4(10)6(8)12/h13H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline?
2,3,5,6-tetrafluoro-N,4-dimethoxyaniline has a molecular weight of 225.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N,4-dimethoxyaniline is sourced from PubChem (CID 87932656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).