5-chloro-4-fluoro-2-(2-iodophenoxy)aniline

C12H8ClFINO — CID 66078879

IUPAC5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
SMILESNc1cc(Cl)c(F)cc1Oc1ccccc1I
InChIInChI=1S/C12H8ClFINO/c13-7-5-10(16)12(6-8(7)14)17-11-4-2-1-3-9(11)15/h1-6H,16H2
InChIKeyDFQZOAGDCCODIK-UHFFFAOYSA-N
MW363.56 g/mol
LogP4.46
Rot. Bonds2

About 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline

5-chloro-4-fluoro-2-(2-iodophenoxy)aniline (PubChem CID 66078879) has the molecular formula C12H8ClFINO and a molecular weight of 363.56 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
PubChem CID66078879
Molecular FormulaC12H8ClFINO
Molecular Weight363.56 g/mol
Exact Mass362.93
IUPAC Name5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
SMILESNc1cc(Cl)c(F)cc1Oc1ccccc1I
InChIInChI=1S/C12H8ClFINO/c13-7-5-10(16)12(6-8(7)14)17-11-4-2-1-3-9(11)15/h1-6H,16H2
InChIKeyDFQZOAGDCCODIK-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.56
LogP ≤ 54.46
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

5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
4-chloro-2-(2-iodophenoxy)aniline
CID 115469275
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
3-chloro-2-(2-iodophenoxy)aniline
CID 43479593
4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748404
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline?
The IUPAC name of 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline (CID 66078879) is 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline?
The canonical SMILES for 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline is Nc1cc(Cl)c(F)cc1Oc1ccccc1I.
What is the InChIKey of 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline?
The InChIKey is DFQZOAGDCCODIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFINO/c13-7-5-10(16)12(6-8(7)14)17-11-4-2-1-3-9(11)15/h1-6H,16H2.
What are the key properties of 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline?
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline has a molecular weight of 363.56 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-(2-iodophenoxy)aniline is sourced from PubChem (CID 66078879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).