2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline

C₁₅H₁₄ClF₂NO₂ — CID 63878623

About 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline

2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline (PubChem CID 63878623) has the molecular formula C₁₅H₁₄ClF₂NO₂ and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
• PubChem CID: 63878623
• Molecular Formula: C₁₅H₁₄ClF₂NO₂
• Molecular Weight: 313.73 g/mol
• Exact Mass: 313.07
• IUPAC Name: 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
• SMILES: CC(C)Oc1cc(Oc2ccc(F)c(Cl)c2)c(N)cc1F
• InChI: InChI=1S/C15H14ClF2NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-9-3-4-11(17)10(16)5-9/h3-8H,19H2,1-2H3
• InChIKey: GHMCKHWHVWIZEN-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.73
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?

The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline (CID 63878623) is 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline.

What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?

The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline is CC(C)Oc1cc(Oc2ccc(F)c(Cl)c2)c(N)cc1F.

What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?

The InChIKey is GHMCKHWHVWIZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-9-3-4-11(17)10(16)5-9/h3-8H,19H2,1-2H3.

What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?

2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline has a molecular weight of 313.73 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline is sourced from PubChem (CID 63878623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63878623 — identifiers, structure, computed properties (public domain)

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