2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C12H14F3NO4 — CID 61492486

IUPAC2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(CO)c(OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO4/c1-19-9-3-2-8(5-17)10(4-9)20-6-11(18)16-7-12(13,14)15/h2-4,17H,5-7H2,1H3,(H,16,18)
InChIKeyZWCJNSOSIGHWIE-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.24
Rot. Bonds6

About 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492486) has the molecular formula C12H14F3NO4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492486
Molecular FormulaC12H14F3NO4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(CO)c(OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO4/c1-19-9-3-2-8(5-17)10(4-9)20-6-11(18)16-7-12(13,14)15/h2-4,17H,5-7H2,1H3,(H,16,18)
InChIKeyZWCJNSOSIGHWIE-UHFFFAOYSA-N
XLogP1.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492486) is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(CO)c(OCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZWCJNSOSIGHWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4/c1-19-9-3-2-8(5-17)10(4-9)20-6-11(18)16-7-12(13,14)15/h2-4,17H,5-7H2,1H3,(H,16,18).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.24 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).