1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one

C17H23F2NO — CID 79060507

IUPAC1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1ccc(F)cc1F)N1CCCC1
InChIInChI=1S/C17H23F2NO/c1-3-17(4-2,20-9-5-6-10-20)16(21)11-13-7-8-14(18)12-15(13)19/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyMNFXVIBFJQLSSV-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.73
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one

1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one (PubChem CID 79060507) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
PubChem CID79060507
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1ccc(F)cc1F)N1CCCC1
InChIInChI=1S/C17H23F2NO/c1-3-17(4-2,20-9-5-6-10-20)16(21)11-13-7-8-14(18)12-15(13)19/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyMNFXVIBFJQLSSV-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069321
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one
CID 79067259
3-ethyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-one
CID 79067494
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one
CID 107128353
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045460
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-(5-fluoro-2-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069554
3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527221
1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 79060051
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one (CID 79060507) is 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one is CCC(CC)(C(=O)Cc1ccc(F)cc1F)N1CCCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
The InChIKey is MNFXVIBFJQLSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-3-17(4-2,20-9-5-6-10-20)16(21)11-13-7-8-14(18)12-15(13)19/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one?
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one has a molecular weight of 295.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one is sourced from PubChem (CID 79060507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).