2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone

C14H23F2NO — CID 114225608

IUPAC2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)CC2CCC(F)(F)C2)CCCN1
InChIInChI=1S/C14H23F2NO/c1-2-5-13(6-3-8-17-13)12(18)9-11-4-7-14(15,16)10-11/h11,17H,2-10H2,1H3
InChIKeyHOMHROGUKCGBAQ-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.30
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone

2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 114225608) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID114225608
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)CC2CCC(F)(F)C2)CCCN1
InChIInChI=1S/C14H23F2NO/c1-2-5-13(6-3-8-17-13)12(18)9-11-4-7-14(15,16)10-11/h11,17H,2-10H2,1H3
InChIKeyHOMHROGUKCGBAQ-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-Difluoropyrrolidin-2-yl)-2-methylpropan-1-one
CID 59581067
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668915
Cyclopentyl(pyrrolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 69432753
cyclopentyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 69432756
1-[(3S,3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
CID 70335691
1-(4,4-Difluoro-2-methylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 89692661
1-(4-Fluoropyrrolidin-2-yl)-2-methylbutan-1-one
CID 90709568
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-pentyloctan-1-one
CID 129068031
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-hexylnonan-1-one
CID 129068034
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213517
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213605
2-Pentyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]octan-1-one
CID 130278913

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 114225608) is 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)CC2CCC(F)(F)C2)CCCN1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is HOMHROGUKCGBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-2-5-13(6-3-8-17-13)12(18)9-11-4-7-14(15,16)10-11/h11,17H,2-10H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 259.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(2-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 114225608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).