5-chloro-4-fluoro-2-phenoxyaniline

C12H9ClFNO — CID 66078478

IUPAC5-chloro-4-fluoro-2-phenoxyaniline
SMILESNc1cc(Cl)c(F)cc1Oc1ccccc1
InChIInChI=1S/C12H9ClFNO/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyRYEFQZIYUCUNJU-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.85
Rot. Bonds2

About 5-chloro-4-fluoro-2-phenoxyaniline

5-chloro-4-fluoro-2-phenoxyaniline (PubChem CID 66078478) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-phenoxyaniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-phenoxyaniline
PubChem CID66078478
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name5-chloro-4-fluoro-2-phenoxyaniline
SMILESNc1cc(Cl)c(F)cc1Oc1ccccc1
InChIInChI=1S/C12H9ClFNO/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyRYEFQZIYUCUNJU-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148
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-phenoxyaniline?
The IUPAC name of 5-chloro-4-fluoro-2-phenoxyaniline (CID 66078478) is 5-chloro-4-fluoro-2-phenoxyaniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-phenoxyaniline?
The canonical SMILES for 5-chloro-4-fluoro-2-phenoxyaniline is Nc1cc(Cl)c(F)cc1Oc1ccccc1.
What is the InChIKey of 5-chloro-4-fluoro-2-phenoxyaniline?
The InChIKey is RYEFQZIYUCUNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h1-7H,15H2.
What are the key properties of 5-chloro-4-fluoro-2-phenoxyaniline?
5-chloro-4-fluoro-2-phenoxyaniline has a molecular weight of 237.66 g/mol, XLogP of 3.85, 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-phenoxyaniline is sourced from PubChem (CID 66078478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).