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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Related Compounds

3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide
CID 65267367
N-bromo-N-(2-fluorophenyl)acetamide
CID 131853313
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988
2-(N,2,3-trifluoroanilino)prop-2-enoic acid
CID 151159871
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
N-(2-fluorophenyl)-N-phenylcarbamoyl chloride
CID 54022555
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
2-fluoro-N,N-di(propan-2-yl)aniline
CID 67920255
(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid
CID 122651775
(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide
CID 79013183
3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76930946

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).