1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one

C8H6F3NO2 — CID 6421270

IUPAC1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
SMILESO=C(Cn1ccccc1=O)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6(13)5-12-4-2-1-3-7(12)14/h1-4H,5H2
InChIKeySMKMVBLTRUADIR-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.98
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one

1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one (PubChem CID 6421270) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
PubChem CID6421270
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
SMILESO=C(Cn1ccccc1=O)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6(13)5-12-4-2-1-3-7(12)14/h1-4H,5H2
InChIKeySMKMVBLTRUADIR-UHFFFAOYSA-N
XLogP0.98
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxo-1-pyridinyl)ethanethioamide
CID 4913354
potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide
CID 106746313
phenyl 2-(2-oxo-1-pyridinyl)acetate
CID 3716691
1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one
CID 67920631
N-methyl-2-(2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 115577760
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 3802743
1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
CID 116618450
N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 95374823
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 120507247

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The IUPAC name of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one (CID 6421270) is 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The canonical SMILES for 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one is O=C(Cn1ccccc1=O)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
The InChIKey is SMKMVBLTRUADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)6(13)5-12-4-2-1-3-7(12)14/h1-4H,5H2.
What are the key properties of 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one?
1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one has a molecular weight of 205.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 6421270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).