4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one

C12H19FN2O — CID 146182790

IUPAC4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(C(F)CN(C)C)cc1=O
InChIInChI=1S/C12H19FN2O/c1-9(2)15-6-5-10(7-12(15)16)11(13)8-14(3)4/h5-7,9,11H,8H2,1-4H3
InChIKeyABRFPOAVKVYAAO-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.00
Rot. Bonds4

About 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one

4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182790) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182790
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1ccc(C(F)CN(C)C)cc1=O
InChIInChI=1S/C12H19FN2O/c1-9(2)15-6-5-10(7-12(15)16)11(13)8-14(3)4/h5-7,9,11H,8H2,1-4H3
InChIKeyABRFPOAVKVYAAO-UHFFFAOYSA-N
XLogP2.00
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one (CID 146182790) is 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one is CC(C)n1ccc(C(F)CN(C)C)cc1=O.
What is the InChIKey of 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is ABRFPOAVKVYAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(2)15-6-5-10(7-12(15)16)11(13)8-14(3)4/h5-7,9,11H,8H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one?
4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 226.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).