2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

C₁₁H₁₃ClF₃NO — CID 66253887

About 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 66253887) has the molecular formula C₁₁H₁₃ClF₃NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
• PubChem CID: 66253887
• Molecular Formula: C₁₁H₁₃ClF₃NO
• Molecular Weight: 267.68 g/mol
• Exact Mass: 267.06
• IUPAC Name: 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
• SMILES: Cc1cccc(Cl)c1NCCOCC(F)(F)F
• InChI: InChI=1S/C11H13ClF3NO/c1-8-3-2-4-9(12)10(8)16-5-6-17-7-11(13,14)15/h2-4,16H,5-7H2,1H3
• InChIKey: OVEIWZWFWDVSDG-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.68
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?

The IUPAC name of 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 66253887) is 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

What is the SMILES notation for 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?

The canonical SMILES for 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is Cc1cccc(Cl)c1NCCOCC(F)(F)F.

What is the InChIKey of 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?

The InChIKey is OVEIWZWFWDVSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-8-3-2-4-9(12)10(8)16-5-6-17-7-11(13,14)15/h2-4,16H,5-7H2,1H3.

What are the key properties of 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?

2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 267.68 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 66253887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66253887 — identifiers, structure, computed properties (public domain)

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