2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide

C8H4BrF4NO — CID 154376960

IUPAC2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide
SMILESO=C(N(F)c1ccccc1F)C(F)(F)Br
InChIInChI=1S/C8H4BrF4NO/c9-8(11,12)7(15)14(13)6-4-2-1-3-5(6)10/h1-4H
InChIKeyBQBJJGGLYSSECJ-UHFFFAOYSA-N
MW286.02 g/mol
LogP3.03
Rot. Bonds2

About 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide

2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide (PubChem CID 154376960) has the molecular formula C8H4BrF4NO and a molecular weight of 286.02 g/mol. Its IUPAC name is 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide
PubChem CID154376960
Molecular FormulaC8H4BrF4NO
Molecular Weight286.02 g/mol
Exact Mass284.94
IUPAC Name2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide
SMILESO=C(N(F)c1ccccc1F)C(F)(F)Br
InChIInChI=1S/C8H4BrF4NO/c9-8(11,12)7(15)14(13)6-4-2-1-3-5(6)10/h1-4H
InChIKeyBQBJJGGLYSSECJ-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.02
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide (CID 154376960) is 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide is O=C(N(F)c1ccccc1F)C(F)(F)Br.
What is the InChIKey of 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
The InChIKey is BQBJJGGLYSSECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF4NO/c9-8(11,12)7(15)14(13)6-4-2-1-3-5(6)10/h1-4H.
What are the key properties of 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide?
2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide has a molecular weight of 286.02 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2,2-trifluoro-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 154376960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).