2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H8Br2F3NO3 — CID 107738387

IUPAC2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1cc(Br)c(OCC(=O)NCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H8Br2F3NO3/c12-7-1-6(3-18)2-8(13)10(7)20-4-9(19)17-5-11(14,15)16/h1-3H,4-5H2,(H,17,19)
InChIKeyGHDONNXHXNACHE-UHFFFAOYSA-N
MW418.99 g/mol
LogP3.08
Rot. Bonds5

About 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107738387) has the molecular formula C11H8Br2F3NO3 and a molecular weight of 418.99 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107738387
Molecular FormulaC11H8Br2F3NO3
Molecular Weight418.99 g/mol
Exact Mass416.88
IUPAC Name2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1cc(Br)c(OCC(=O)NCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H8Br2F3NO3/c12-7-1-6(3-18)2-8(13)10(7)20-4-9(19)17-5-11(14,15)16/h1-3H,4-5H2,(H,17,19)
InChIKeyGHDONNXHXNACHE-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 107738457
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 28913545
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 43622439
2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 63999855
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 112788216
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
CID 106438593
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(2-bromo-4-formyl-6-iodophenoxy)acetic acid
CID 4763787
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 21211286

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 107738387) is 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=Cc1cc(Br)c(OCC(=O)NCC(F)(F)F)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GHDONNXHXNACHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2F3NO3/c12-7-1-6(3-18)2-8(13)10(7)20-4-9(19)17-5-11(14,15)16/h1-3H,4-5H2,(H,17,19).
What are the key properties of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 418.99 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107738387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).