2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide

C6H9BrF3NO2 — CID 114329017

IUPAC2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(Br)C(=O)NOCC(F)(F)F
InChIInChI=1S/C6H9BrF3NO2/c1-5(2,7)4(12)11-13-3-6(8,9)10/h3H2,1-2H3,(H,11,12)
InChIKeyOCNLKOGDLYLFBI-UHFFFAOYSA-N
MW264.04 g/mol
LogP1.77
Rot. Bonds3

About 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide

2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 114329017) has the molecular formula C6H9BrF3NO2 and a molecular weight of 264.04 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID114329017
Molecular FormulaC6H9BrF3NO2
Molecular Weight264.04 g/mol
Exact Mass262.98
IUPAC Name2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(Br)C(=O)NOCC(F)(F)F
InChIInChI=1S/C6H9BrF3NO2/c1-5(2,7)4(12)11-13-3-6(8,9)10/h3H2,1-2H3,(H,11,12)
InChIKeyOCNLKOGDLYLFBI-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide (CID 114329017) is 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide is CC(C)(Br)C(=O)NOCC(F)(F)F.
What is the InChIKey of 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is OCNLKOGDLYLFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF3NO2/c1-5(2,7)4(12)11-13-3-6(8,9)10/h3H2,1-2H3,(H,11,12).
What are the key properties of 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide?
2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 264.04 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 114329017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).