2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C10H8BrF4NO2 — CID 63999855

IUPAC2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Br)c(F)c1)NCC(F)(F)F
InChIInChI=1S/C10H8BrF4NO2/c11-7-2-1-6(3-8(7)12)18-4-9(17)16-5-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyOJBMJKTZFMQIKX-UHFFFAOYSA-N
MW330.08 g/mol
LogP2.65
Rot. Bonds4

About 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63999855) has the molecular formula C10H8BrF4NO2 and a molecular weight of 330.08 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63999855
Molecular FormulaC10H8BrF4NO2
Molecular Weight330.08 g/mol
Exact Mass328.97
IUPAC Name2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Br)c(F)c1)NCC(F)(F)F
InChIInChI=1S/C10H8BrF4NO2/c11-7-2-1-6(3-8(7)12)18-4-9(17)16-5-10(13,14)15/h1-3H,4-5H2,(H,16,17)
InChIKeyOJBMJKTZFMQIKX-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78952816
2-(4-bromo-3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 65202721
2-(4-bromo-3-fluorophenoxy)-N-butylacetamide
CID 63998462
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431
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-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
3,5-dibromo-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 107738457
N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
CID 65203389
2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107738387
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 63999855) is 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ccc(Br)c(F)c1)NCC(F)(F)F.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OJBMJKTZFMQIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4NO2/c11-7-2-1-6(3-8(7)12)18-4-9(17)16-5-10(13,14)15/h1-3H,4-5H2,(H,16,17).
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.08 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63999855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).