2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C17H22FNO — CID 79057927

IUPAC2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1ccccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H22FNO/c18-15-8-2-1-7-14(15)13-16(20)17(9-3-4-10-17)19-11-5-6-12-19/h1-2,7-8H,3-6,9-13H2
InChIKeySPGSKHXSQZQVSD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.35
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 79057927) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID79057927
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1ccccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H22FNO/c18-15-8-2-1-7-14(15)13-16(20)17(9-3-4-10-17)19-11-5-6-12-19/h1-2,7-8H,3-6,9-13H2
InChIKeySPGSKHXSQZQVSD-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79060755
N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131912090
2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058174
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057412
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79059436
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
CID 116550631
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853
2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 79057927) is 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is O=C(Cc1ccccc1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is SPGSKHXSQZQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-15-8-2-1-7-14(15)13-16(20)17(9-3-4-10-17)19-11-5-6-12-19/h1-2,7-8H,3-6,9-13H2.
What are the key properties of 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 79057927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).