3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide

C11H19F2NO2 — CID 103208994

IUPAC3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCOCC(F)F)C1
InChIInChI=1S/C11H19F2NO2/c1-8-2-3-9(6-8)14-11(15)4-5-16-7-10(12)13/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyOLUKXJPXCNUKLI-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.96
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide

3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide (PubChem CID 103208994) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide
PubChem CID103208994
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCOCC(F)F)C1
InChIInChI=1S/C11H19F2NO2/c1-8-2-3-9(6-8)14-11(15)4-5-16-7-10(12)13/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyOLUKXJPXCNUKLI-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,3S)-3-ethylcyclopentyl]-3,3,3-trifluoropropanamide
CID 68260680
3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide
CID 68260735
4,4,4-trifluoro-N-(3-methylcyclopentyl)butanamide
CID 68260775
3,3,3-trifluoro-N-[(1R,3R)-3-methylcyclopentyl]propanamide
CID 89616536
ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide
CID 144507421
N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 51077296
N-[(1-methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 56784198
N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 60275378
N-(3-ethylcyclopentyl)-3,3,3-trifluoropropanamide
CID 77444022
N-(3-methyl-2-propan-2-ylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 102914289
1-(4-Amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205309
1-(4-Amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205310

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide (CID 103208994) is 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide is CC1CCC(NC(=O)CCOCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide?
The InChIKey is OLUKXJPXCNUKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-8-2-3-9(6-8)14-11(15)4-5-16-7-10(12)13/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide?
3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide has a molecular weight of 235.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(3-methylcyclopentyl)propanamide is sourced from PubChem (CID 103208994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).