5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline

C13H11FINO2 — CID 63598441

IUPAC5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
SMILESCOc1cc(Oc2ccc(I)cc2)c(N)cc1F
InChIInChI=1S/C13H11FINO2/c1-17-12-7-13(11(16)6-10(12)14)18-9-4-2-8(15)3-5-9/h2-7H,16H2,1H3
InChIKeyKWIOHVFJDGRJJY-UHFFFAOYSA-N
MW359.14 g/mol
LogP3.81
Rot. Bonds3

About 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline

5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline (PubChem CID 63598441) has the molecular formula C13H11FINO2 and a molecular weight of 359.14 g/mol. Its IUPAC name is 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
PubChem CID63598441
Molecular FormulaC13H11FINO2
Molecular Weight359.14 g/mol
Exact Mass358.98
IUPAC Name5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
SMILESCOc1cc(Oc2ccc(I)cc2)c(N)cc1F
InChIInChI=1S/C13H11FINO2/c1-17-12-7-13(11(16)6-10(12)14)18-9-4-2-8(15)3-5-9/h2-7H,16H2,1H3
InChIKeyKWIOHVFJDGRJJY-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
3-fluoro-4-(4-iodophenoxy)aniline
CID 43144708
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
2,5-difluoro-4-methoxyaniline
CID 45090681
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline?
The IUPAC name of 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline (CID 63598441) is 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline.
What is the SMILES notation for 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline?
The canonical SMILES for 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline is COc1cc(Oc2ccc(I)cc2)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline?
The InChIKey is KWIOHVFJDGRJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINO2/c1-17-12-7-13(11(16)6-10(12)14)18-9-4-2-8(15)3-5-9/h2-7H,16H2,1H3.
What are the key properties of 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline?
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline has a molecular weight of 359.14 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline is sourced from PubChem (CID 63598441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).