2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide

C11H12BrF2NO — CID 175477524

IUPAC2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C(F)(F)Br)c1ccccc1
InChIInChI=1S/C11H12BrF2NO/c1-10(2,8-6-4-3-5-7-8)15-9(16)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyORPQFJVINBTNIC-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.03
Rot. Bonds3

About 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide

2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide (PubChem CID 175477524) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide
PubChem CID175477524
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C(F)(F)Br)c1ccccc1
InChIInChI=1S/C11H12BrF2NO/c1-10(2,8-6-4-3-5-7-8)15-9(16)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyORPQFJVINBTNIC-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide (CID 175477524) is 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide is CC(C)(NC(=O)C(F)(F)Br)c1ccccc1.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide?
The InChIKey is ORPQFJVINBTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-10(2,8-6-4-3-5-7-8)15-9(16)11(12,13)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide?
2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide has a molecular weight of 292.12 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 175477524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).