2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C17H21F2NO — CID 79060755

IUPAC2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H21F2NO/c18-14-5-6-15(19)13(11-14)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11H,1-4,7-10,12H2
InChIKeyZNFBEQFRUITUDQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.48
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 79060755) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID79060755
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H21F2NO/c18-14-5-6-15(19)13(11-14)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11H,1-4,7-10,12H2
InChIKeyZNFBEQFRUITUDQ-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057927
(2,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79058928
2-(2,5-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066487
2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058174
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182
1-(2,5-difluorophenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575381
1-(4-aminooxan-4-yl)-2-(2,5-difluorophenyl)ethanone
CID 116604564
1-(2,5-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069321
2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
1-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65195023
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(2,5-difluorophenyl)acetate
CID 6951702

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 79060755) is 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is O=C(Cc1cc(F)ccc1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is ZNFBEQFRUITUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO/c18-14-5-6-15(19)13(11-14)12-16(21)17(7-1-2-8-17)20-9-3-4-10-20/h5-6,11H,1-4,7-10,12H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 293.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 79060755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).