4-(4-fluorophenoxy)-3-iodoaniline

C12H9FINO — CID 66092753

IUPAC4-(4-fluorophenoxy)-3-iodoaniline
SMILESNc1ccc(Oc2ccc(F)cc2)c(I)c1
InChIInChI=1S/C12H9FINO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2
InChIKeyQQPQQCAXYLVFLL-UHFFFAOYSA-N
MW329.11 g/mol
LogP3.80
Rot. Bonds2

About 4-(4-fluorophenoxy)-3-iodoaniline

4-(4-fluorophenoxy)-3-iodoaniline (PubChem CID 66092753) has the molecular formula C12H9FINO and a molecular weight of 329.11 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3-iodoaniline.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3-iodoaniline
PubChem CID66092753
Molecular FormulaC12H9FINO
Molecular Weight329.11 g/mol
Exact Mass328.97
IUPAC Name4-(4-fluorophenoxy)-3-iodoaniline
SMILESNc1ccc(Oc2ccc(F)cc2)c(I)c1
InChIInChI=1S/C12H9FINO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2
InChIKeyQQPQQCAXYLVFLL-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
CID 139337332
3-iodo-4-(4-methylsulfonylphenoxy)aniline
CID 66095645
2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107708403
3-fluoro-4-(4-iodophenoxy)aniline
CID 43144708
4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
CID 107655538
4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
CID 66093379
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529
3-amino-4-(4-fluorophenoxy)phenol
CID 14722260
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-3-iodoaniline?
The IUPAC name of 4-(4-fluorophenoxy)-3-iodoaniline (CID 66092753) is 4-(4-fluorophenoxy)-3-iodoaniline.
What is the SMILES notation for 4-(4-fluorophenoxy)-3-iodoaniline?
The canonical SMILES for 4-(4-fluorophenoxy)-3-iodoaniline is Nc1ccc(Oc2ccc(F)cc2)c(I)c1.
What is the InChIKey of 4-(4-fluorophenoxy)-3-iodoaniline?
The InChIKey is QQPQQCAXYLVFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FINO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2.
What are the key properties of 4-(4-fluorophenoxy)-3-iodoaniline?
4-(4-fluorophenoxy)-3-iodoaniline has a molecular weight of 329.11 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3-iodoaniline is sourced from PubChem (CID 66092753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).