2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide

C8H8F3N3O — CID 143807600

IUPAC2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide
SMILESCC(NC(=O)C(F)(F)F)c1cnccn1
InChIInChI=1S/C8H8F3N3O/c1-5(6-4-12-2-3-13-6)14-7(15)8(9,10)11/h2-5H,1H3,(H,14,15)
InChIKeyPMGDCJAMBVWXGY-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.22
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide

2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide (PubChem CID 143807600) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide
PubChem CID143807600
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide
SMILESCC(NC(=O)C(F)(F)F)c1cnccn1
InChIInChI=1S/C8H8F3N3O/c1-5(6-4-12-2-3-13-6)14-7(15)8(9,10)11/h2-5H,1H3,(H,14,15)
InChIKeyPMGDCJAMBVWXGY-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide (CID 143807600) is 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide is CC(NC(=O)C(F)(F)F)c1cnccn1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide?
The InChIKey is PMGDCJAMBVWXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-5(6-4-12-2-3-13-6)14-7(15)8(9,10)11/h2-5H,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide?
2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide has a molecular weight of 219.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-pyrazin-2-ylethyl)acetamide is sourced from PubChem (CID 143807600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).