3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one

C13H15F2NO — CID 123616336

IUPAC3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(c2cccc(F)c2F)C1=O
InChIInChI=1S/C13H15F2NO/c1-8(2)16-7-6-10(13(16)17)9-4-3-5-11(14)12(9)15/h3-5,8,10H,6-7H2,1-2H3
InChIKeyXBRXDKPTFFLNBK-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.69
Rot. Bonds2

About 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one

3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 123616336) has the molecular formula C13H15F2NO and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID123616336
Molecular FormulaC13H15F2NO
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC Name3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(c2cccc(F)c2F)C1=O
InChIInChI=1S/C13H15F2NO/c1-8(2)16-7-6-10(13(16)17)9-4-3-5-11(14)12(9)15/h3-5,8,10H,6-7H2,1-2H3
InChIKeyXBRXDKPTFFLNBK-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(2,6-difluoroanilino)-1-propan-2-ylpyrrolidin-2-one
CID 124511774
3-(2,3-difluorophenyl)-1-propan-2-ylazetidine
CID 169030280
6-(2,3-difluorophenyl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)azepan-2-one
CID 91087112
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
(3S)-3-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-methylamino]-1-propan-2-ylpyrrolidin-2-one
CID 99107172
(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741145
1-[(2R,3S,6R)-3-(2,3-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-2-methylpropan-1-one
CID 56895678
4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68830561
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one (CID 123616336) is 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(c2cccc(F)c2F)C1=O.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is XBRXDKPTFFLNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-8(2)16-7-6-10(13(16)17)9-4-3-5-11(14)12(9)15/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one?
3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 123616336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).