N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide

C9H9F3N2O2 — CID 167238340

IUPACN-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESCCn1cccc(NC(=O)C(F)(F)F)c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-14-5-3-4-6(7(14)15)13-8(16)9(10,11)12/h3-5H,2H2,1H3,(H,13,16)
InChIKeyNPJYFFMGGBEVLX-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.37
Rot. Bonds2

About N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide

N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 167238340) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID167238340
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESCCn1cccc(NC(=O)C(F)(F)F)c1=O
InChIInChI=1S/C9H9F3N2O2/c1-2-14-5-3-4-6(7(14)15)13-8(16)9(10,11)12/h3-5H,2H2,1H3,(H,13,16)
InChIKeyNPJYFFMGGBEVLX-UHFFFAOYSA-N
XLogP1.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide (CID 167238340) is N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide is CCn1cccc(NC(=O)C(F)(F)F)c1=O.
What is the InChIKey of N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is NPJYFFMGGBEVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-14-5-3-4-6(7(14)15)13-8(16)9(10,11)12/h3-5H,2H2,1H3,(H,13,16).
What are the key properties of N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide?
N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide has a molecular weight of 234.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167238340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).