2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide

C10H10F3NO5 — CID 79869775

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1coc(CO)cc1=O)NCC(F)(F)F
InChIInChI=1S/C10H10F3NO5/c11-10(12,13)5-14-9(17)4-19-8-3-18-6(2-15)1-7(8)16/h1,3,15H,2,4-5H2,(H,14,17)
InChIKeyPFQAUESOPFWGKE-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.19
Rot. Bonds5

About 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79869775) has the molecular formula C10H10F3NO5 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79869775
Molecular FormulaC10H10F3NO5
Molecular Weight281.19 g/mol
Exact Mass281.05
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1coc(CO)cc1=O)NCC(F)(F)F
InChIInChI=1S/C10H10F3NO5/c11-10(12,13)5-14-9(17)4-19-8-3-18-6(2-15)1-7(8)16/h1,3,15H,2,4-5H2,(H,14,17)
InChIKeyPFQAUESOPFWGKE-UHFFFAOYSA-N
XLogP0.19
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 79869775) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1coc(CO)cc1=O)NCC(F)(F)F.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PFQAUESOPFWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO5/c11-10(12,13)5-14-9(17)4-19-8-3-18-6(2-15)1-7(8)16/h1,3,15H,2,4-5H2,(H,14,17).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79869775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).