5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one

C13H20F2N2O — CID 147464782

IUPAC5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN(C)CC(F)F)ccc1=O
InChIInChI=1S/C13H20F2N2O/c1-10(2)17-8-11(4-5-13(17)18)6-7-16(3)9-12(14)15/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyFAPQVGQKJKDPGC-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.17
Rot. Bonds6

About 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one

5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one (PubChem CID 147464782) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one
PubChem CID147464782
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN(C)CC(F)F)ccc1=O
InChIInChI=1S/C13H20F2N2O/c1-10(2)17-8-11(4-5-13(17)18)6-7-16(3)9-12(14)15/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyFAPQVGQKJKDPGC-UHFFFAOYSA-N
XLogP2.17
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one (CID 147464782) is 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CCN(C)CC(F)F)ccc1=O.
What is the InChIKey of 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is FAPQVGQKJKDPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-10(2)17-8-11(4-5-13(17)18)6-7-16(3)9-12(14)15/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one?
5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 258.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 147464782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).