2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide

C10H11F3N2O2 — CID 62657037

IUPAC2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
SMILESCCCn1cc(NC(=O)C(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O2/c1-2-5-15-6-7(3-4-8(15)16)14-9(17)10(11,12)13/h3-4,6H,2,5H2,1H3,(H,14,17)
InChIKeyYYWUEZDGNSUQAP-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.76
Rot. Bonds3

About 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide

2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide (PubChem CID 62657037) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
PubChem CID62657037
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
SMILESCCCn1cc(NC(=O)C(F)(F)F)ccc1=O
InChIInChI=1S/C10H11F3N2O2/c1-2-5-15-6-7(3-4-8(15)16)14-9(17)10(11,12)13/h3-4,6H,2,5H2,1H3,(H,14,17)
InChIKeyYYWUEZDGNSUQAP-UHFFFAOYSA-N
XLogP1.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.76
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-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide (CID 62657037) is 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide is CCCn1cc(NC(=O)C(F)(F)F)ccc1=O.
What is the InChIKey of 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
The InChIKey is YYWUEZDGNSUQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-5-15-6-7(3-4-8(15)16)14-9(17)10(11,12)13/h3-4,6H,2,5H2,1H3,(H,14,17).
What are the key properties of 2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide?
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide has a molecular weight of 248.20 g/mol, XLogP of 1.76, 3 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-(6-oxo-1-propyl-3-pyridinyl)acetamide is sourced from PubChem (CID 62657037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).