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

C12H21F2NO3 — CID 103209096

IUPAC3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1CCCC1CO
InChIInChI=1S/C12H21F2NO3/c13-11(14)8-18-5-4-12(17)15-6-9-2-1-3-10(9)7-16/h9-11,16H,1-8H2,(H,15,17)
InChIKeyDEKSPEQUUXBWOU-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.18
Rot. Bonds8

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

3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide (PubChem CID 103209096) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide
PubChem CID103209096
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1CCCC1CO
InChIInChI=1S/C12H21F2NO3/c13-11(14)8-18-5-4-12(17)15-6-9-2-1-3-10(9)7-16/h9-11,16H,1-8H2,(H,15,17)
InChIKeyDEKSPEQUUXBWOU-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64911939
N-[(2-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65834384
2-[[3-(2,2,2-Trifluoroethoxy)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 65897606
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65903123
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65924789
3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 65925022
4,4,4-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 65926000
2,2,2-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65926612
2-[[2-(hydroxymethyl)cyclopentyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65926878
[2-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclopentyl]methanol
CID 65927639
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260931
4,4-difluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 81932903

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide (CID 103209096) is 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide is O=C(CCOCC(F)F)NCC1CCCC1CO.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The InChIKey is DEKSPEQUUXBWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c13-11(14)8-18-5-4-12(17)15-6-9-2-1-3-10(9)7-16/h9-11,16H,1-8H2,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide?
3-(2,2-difluoroethoxy)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide has a molecular weight of 265.30 g/mol, XLogP of 1.18, 8 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]methyl]propanamide is sourced from PubChem (CID 103209096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).