4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one

C12H18FNO — CID 159299868

IUPAC4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)Cc1c(F)ccn(C(C)C)c1=O
InChIInChI=1S/C12H18FNO/c1-8(2)7-10-11(13)5-6-14(9(3)4)12(10)15/h5-6,8-9H,7H2,1-4H3
InChIKeyDRLGUKPKVYMPAI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.77
Rot. Bonds3

About 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one

4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one (PubChem CID 159299868) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one
PubChem CID159299868
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)Cc1c(F)ccn(C(C)C)c1=O
InChIInChI=1S/C12H18FNO/c1-8(2)7-10-11(13)5-6-14(9(3)4)12(10)15/h5-6,8-9H,7H2,1-4H3
InChIKeyDRLGUKPKVYMPAI-UHFFFAOYSA-N
XLogP2.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one (CID 159299868) is 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one is CC(C)Cc1c(F)ccn(C(C)C)c1=O.
What is the InChIKey of 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is DRLGUKPKVYMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(2)7-10-11(13)5-6-14(9(3)4)12(10)15/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one?
4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 211.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methylpropyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 159299868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).