2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C10H8Br2F3NO2 — CID 47449431

IUPAC2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1c(Br)cccc1Br)NCC(F)(F)F
InChIInChI=1S/C10H8Br2F3NO2/c11-6-2-1-3-7(12)9(6)18-4-8(17)16-5-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyKQXABHVKJSWTCA-UHFFFAOYSA-N
MW390.98 g/mol
LogP3.27
Rot. Bonds4

About 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47449431) has the molecular formula C10H8Br2F3NO2 and a molecular weight of 390.98 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47449431
Molecular FormulaC10H8Br2F3NO2
Molecular Weight390.98 g/mol
Exact Mass388.89
IUPAC Name2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1c(Br)cccc1Br)NCC(F)(F)F
InChIInChI=1S/C10H8Br2F3NO2/c11-6-2-1-3-7(12)9(6)18-4-8(17)16-5-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyKQXABHVKJSWTCA-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.98
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107738387
2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 63999855
1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 107598645
3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 43214258
2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962208
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 112788216
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2457069
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] naphthalene-1-carboxylate
CID 2445194
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492340
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 47449431) is 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1c(Br)cccc1Br)NCC(F)(F)F.
What is the InChIKey of 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KQXABHVKJSWTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F3NO2/c11-6-2-1-3-7(12)9(6)18-4-8(17)16-5-10(13,14)15/h1-3H,4-5H2,(H,16,17).
What are the key properties of 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 390.98 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47449431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).