N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide

C8H8F3N3O — CID 87968216

IUPACN-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-2-5-12-4-3-6(13-5)14-7(15)8(9,10)11/h3-4H,2H2,1H3,(H,12,13,14,15)
InChIKeyZLTFMEJEKZTEDK-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.54
Rot. Bonds2

About N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide

N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 87968216) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID87968216
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nccc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-2-5-12-4-3-6(13-5)14-7(15)8(9,10)11/h3-4H,2H2,1H3,(H,12,13,14,15)
InChIKeyZLTFMEJEKZTEDK-UHFFFAOYSA-N
XLogP1.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide (CID 87968216) is N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide is CCc1nccc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ZLTFMEJEKZTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-2-5-12-4-3-6(13-5)14-7(15)8(9,10)11/h3-4H,2H2,1H3,(H,12,13,14,15).
What are the key properties of N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide?
N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 219.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87968216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).