N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide

C₉H₇BrF₃NO₂ — CID 156877036

About N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide

N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 156877036) has the molecular formula C₉H₇BrF₃NO₂ and a molecular weight of 298.06 g/mol. Its IUPAC name is N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
• PubChem CID: 156877036
• Molecular Formula: C₉H₇BrF₃NO₂
• Molecular Weight: 298.06 g/mol
• Exact Mass: 296.96
• IUPAC Name: N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
• SMILES: COc1cccc(Br)c1NC(=O)C(F)(F)F
• InChI: InChI=1S/C9H7BrF3NO2/c1-16-6-4-2-3-5(10)7(6)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
• InChIKey: WFCGDLKWIOSORH-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.06
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?

The IUPAC name of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide (CID 156877036) is N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?

The canonical SMILES for N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide is COc1cccc(Br)c1NC(=O)C(F)(F)F.

What is the InChIKey of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?

The InChIKey is WFCGDLKWIOSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO2/c1-16-6-4-2-3-5(10)7(6)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15).

What are the key properties of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?

N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 298.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156877036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156877036 — identifiers, structure, computed properties (public domain)

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