3-fluoro-4-(4-iodophenoxy)aniline

C12H9FINO — CID 43144708

IUPAC3-fluoro-4-(4-iodophenoxy)aniline
SMILESNc1ccc(Oc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C12H9FINO/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7H,15H2
InChIKeyRBWXWAWBQJLEQY-UHFFFAOYSA-N
MW329.11 g/mol
LogP3.80
Rot. Bonds2

About 3-fluoro-4-(4-iodophenoxy)aniline

3-fluoro-4-(4-iodophenoxy)aniline (PubChem CID 43144708) has the molecular formula C12H9FINO and a molecular weight of 329.11 g/mol. Its IUPAC name is 3-fluoro-4-(4-iodophenoxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(4-iodophenoxy)aniline
PubChem CID43144708
Molecular FormulaC12H9FINO
Molecular Weight329.11 g/mol
Exact Mass328.97
IUPAC Name3-fluoro-4-(4-iodophenoxy)aniline
SMILESNc1ccc(Oc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C12H9FINO/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7H,15H2
InChIKeyRBWXWAWBQJLEQY-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

4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-fluoroaniline
CID 57107456
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
4-(2-bromo-4,5-difluorophenoxy)aniline
CID 86811267
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
5-(4-amino-2-fluorophenoxy)pyridin-3-ol
CID 143108339
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
CID 43283656
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline
CID 139669166

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-iodophenoxy)aniline?
The IUPAC name of 3-fluoro-4-(4-iodophenoxy)aniline (CID 43144708) is 3-fluoro-4-(4-iodophenoxy)aniline.
What is the SMILES notation for 3-fluoro-4-(4-iodophenoxy)aniline?
The canonical SMILES for 3-fluoro-4-(4-iodophenoxy)aniline is Nc1ccc(Oc2ccc(I)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-iodophenoxy)aniline?
The InChIKey is RBWXWAWBQJLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FINO/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7H,15H2.
What are the key properties of 3-fluoro-4-(4-iodophenoxy)aniline?
3-fluoro-4-(4-iodophenoxy)aniline 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 3-fluoro-4-(4-iodophenoxy)aniline is sourced from PubChem (CID 43144708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).