3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide

C11H19F2NO3 — CID 103525061

IUPAC3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(CCOCC(F)F)NC1CCCC1CO
InChIInChI=1S/C11H19F2NO3/c12-10(13)7-17-5-4-11(16)14-9-3-1-2-8(9)6-15/h8-10,15H,1-7H2,(H,14,16)
InChIKeyBUHYJRGCNCLZIC-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.94
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide

3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide (PubChem CID 103525061) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
PubChem CID103525061
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(CCOCC(F)F)NC1CCCC1CO
InChIInChI=1S/C11H19F2NO3/c12-10(13)7-17-5-4-11(16)14-9-3-1-2-8(9)6-15/h8-10,15H,1-7H2,(H,14,16)
InChIKeyBUHYJRGCNCLZIC-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide 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

N-[2-(bromomethyl)cyclopentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106366258
N-[2-(bromomethyl)cyclohexyl]-3-(2,2-difluoroethoxy)propanamide
CID 106367115
N-(2-carbamothioylcyclopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208406
3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 103206084
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 106359865
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-[2-(hydroxymethyl)cyclopentyl]-3-methylsulfonylpropanamide
CID 103822602
3-(3-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103774376

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide (CID 103525061) is 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide is O=C(CCOCC(F)F)NC1CCCC1CO.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The InChIKey is BUHYJRGCNCLZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c12-10(13)7-17-5-4-11(16)14-9-3-1-2-8(9)6-15/h8-10,15H,1-7H2,(H,14,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide has a molecular weight of 251.27 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide is sourced from PubChem (CID 103525061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).