3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

C11H21F2NO3 — CID 103525058

IUPAC3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-8(2)9(3-5-15)14-11(16)4-6-17-7-10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyDXRJYWJJLUNVOZ-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.18
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (PubChem CID 103525058) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
PubChem CID103525058
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-8(2)9(3-5-15)14-11(16)4-6-17-7-10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyDXRJYWJJLUNVOZ-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.18
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-(1-hydroxy-4-methylpentan-3-yl)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

2-methyl-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)propanamide
CID 132250257
3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 167425102
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
CID 171733416
N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61246335
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486
N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65031880
4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 65711158
N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 66108641
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 79252930
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 79255489
N-(5-hydroxypentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 80292192

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (CID 103525058) is 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is CC(C)C(CCO)NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The InChIKey is DXRJYWJJLUNVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-8(2)9(3-5-15)14-11(16)4-6-17-7-10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide has a molecular weight of 253.29 g/mol, XLogP of 1.18, 9 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-(1-hydroxy-4-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103525058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).