2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C11H12F3NO3 — CID 54962208

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1cccc(CO)c1)NCC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-15-10(17)6-18-9-3-1-2-8(4-9)5-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyZSLNQSUWGBPFED-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.24
Rot. Bonds5

About 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54962208) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54962208
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1cccc(CO)c1)NCC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-15-10(17)6-18-9-3-1-2-8(4-9)5-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyZSLNQSUWGBPFED-UHFFFAOYSA-N
XLogP1.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 43214258
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 63999855
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019
2-[5-(hydroxymethyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62116596
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431
2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 110884930
2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78952816
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 112788216

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 54962208) is 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1cccc(CO)c1)NCC(F)(F)F.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZSLNQSUWGBPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)7-15-10(17)6-18-9-3-1-2-8(4-9)5-16/h1-4,16H,5-7H2,(H,15,17).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.21 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54962208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).