ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide

C11H15F3N2O2 — CID 153352786

IUPACethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide
SMILESCC.NC(=O)C(CC(F)(F)F)n1ccccc1=O
InChIInChI=1S/C9H9F3N2O2.C2H6/c10-9(11,12)5-6(8(13)16)14-4-2-1-3-7(14)15;1-2/h1-4,6H,5H2,(H2,13,16);1-2H3
InChIKeyPUNMTBGDWKIAHH-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.85
Rot. Bonds3

About ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide

ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide (PubChem CID 153352786) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide.

Molecular Properties

Compound Nameethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide
PubChem CID153352786
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Nameethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide
SMILESCC.NC(=O)C(CC(F)(F)F)n1ccccc1=O
InChIInChI=1S/C9H9F3N2O2.C2H6/c10-9(11,12)5-6(8(13)16)14-4-2-1-3-7(14)15;1-2/h1-4,6H,5H2,(H2,13,16);1-2H3
InChIKeyPUNMTBGDWKIAHH-UHFFFAOYSA-N
XLogP1.85
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1-pyridinyl)pentanoic acid
CID 82032055
ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate
CID 66650045
1-pentan-3-ylpyridin-2-one
CID 90220799
5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid
CID 82031085
1-(2-oxo-1-pyridinyl)ethyl acetate
CID 174565058
1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 3828854
1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
CID 164708105
1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
CID 6421270
cesium;carbanide;ethyl 3-[2,6-difluoro-3-methyl-5-(2,4,6-trimethylphenyl)phenyl]propanoate;4-methyl-2-(2-oxo-1-pyridinyl)pentanamide
CID 156728495
2-(4-chlorophenyl)-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 19907600
4-amino-4-oxo-3-(3-oxo-1-propan-2-yl-1H-isoindol-2-yl)butanoic acid
CID 22612888
N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 5149295

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide?
The IUPAC name of ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide (CID 153352786) is ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide.
What is the SMILES notation for ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide?
The canonical SMILES for ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide is CC.NC(=O)C(CC(F)(F)F)n1ccccc1=O.
What is the InChIKey of ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide?
The InChIKey is PUNMTBGDWKIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2.C2H6/c10-9(11,12)5-6(8(13)16)14-4-2-1-3-7(14)15;1-2/h1-4,6H,5H2,(H2,13,16);1-2H3.
What are the key properties of ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide?
ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide has a molecular weight of 264.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide is sourced from PubChem (CID 153352786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).