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

C15H25F2NO — CID 114225558

IUPAC2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)CC2CCCC(F)(F)C2)CCNC1
InChIInChI=1S/C15H25F2NO/c1-2-5-14(7-8-18-11-14)13(19)9-12-4-3-6-15(16,17)10-12/h12,18H,2-11H2,1H3
InChIKeyIUEJKNHTCHCKSK-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.55
Rot. Bonds5

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

2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone (PubChem CID 114225558) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone
PubChem CID114225558
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)CC2CCCC(F)(F)C2)CCNC1
InChIInChI=1S/C15H25F2NO/c1-2-5-14(7-8-18-11-14)13(19)9-12-4-3-6-15(16,17)10-12/h12,18H,2-11H2,1H3
InChIKeyIUEJKNHTCHCKSK-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone (CID 114225558) is 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone is CCCC1(C(=O)CC2CCCC(F)(F)C2)CCNC1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The InChIKey is IUEJKNHTCHCKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-2-5-14(7-8-18-11-14)13(19)9-12-4-3-6-15(16,17)10-12/h12,18H,2-11H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone?
2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone has a molecular weight of 273.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(3-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 114225558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).