3-fluoro-N-iodo-2-methoxyaniline

C7H7FINO — CID 163582231

IUPAC3-fluoro-N-iodo-2-methoxyaniline
SMILESCOc1c(F)cccc1NI
InChIInChI=1S/C7H7FINO/c1-11-7-5(8)3-2-4-6(7)10-9/h2-4,10H,1H3
InChIKeyGINCHECVMOYQMU-UHFFFAOYSA-N
MW267.04 g/mol
LogP2.60
Rot. Bonds2

About 3-fluoro-N-iodo-2-methoxyaniline

3-fluoro-N-iodo-2-methoxyaniline (PubChem CID 163582231) has the molecular formula C7H7FINO and a molecular weight of 267.04 g/mol. Its IUPAC name is 3-fluoro-N-iodo-2-methoxyaniline.

Molecular Properties

Compound Name3-fluoro-N-iodo-2-methoxyaniline
PubChem CID163582231
Molecular FormulaC7H7FINO
Molecular Weight267.04 g/mol
Exact Mass266.96
IUPAC Name3-fluoro-N-iodo-2-methoxyaniline
SMILESCOc1c(F)cccc1NI
InChIInChI=1S/C7H7FINO/c1-11-7-5(8)3-2-4-6(7)10-9/h2-4,10H,1H3
InChIKeyGINCHECVMOYQMU-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 3-fluoro-N-iodo-2-methoxyaniline 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 3-fluoro-N-iodo-2-methoxyaniline?
The IUPAC name of 3-fluoro-N-iodo-2-methoxyaniline (CID 163582231) is 3-fluoro-N-iodo-2-methoxyaniline.
What is the SMILES notation for 3-fluoro-N-iodo-2-methoxyaniline?
The canonical SMILES for 3-fluoro-N-iodo-2-methoxyaniline is COc1c(F)cccc1NI.
What is the InChIKey of 3-fluoro-N-iodo-2-methoxyaniline?
The InChIKey is GINCHECVMOYQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FINO/c1-11-7-5(8)3-2-4-6(7)10-9/h2-4,10H,1H3.
What are the key properties of 3-fluoro-N-iodo-2-methoxyaniline?
3-fluoro-N-iodo-2-methoxyaniline has a molecular weight of 267.04 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-iodo-2-methoxyaniline is sourced from PubChem (CID 163582231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).