3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide

C9H17F2NO3 — CID 103209157

IUPAC3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCC(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO3/c1-7(2-4-13)12-9(14)3-5-15-6-8(10)11/h7-8,13H,2-6H2,1H3,(H,12,14)
InChIKeyTZHULLBNKMMGMA-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.55
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide

3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide (PubChem CID 103209157) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide
PubChem CID103209157
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCC(CCO)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO3/c1-7(2-4-13)12-9(14)3-5-15-6-8(10)11/h7-8,13H,2-6H2,1H3,(H,12,14)
InChIKeyTZHULLBNKMMGMA-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.55
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-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022
2-methyl-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)propanamide
CID 132250257
3-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 146353481
3-hydroxy-N-(3,3,3-trifluoropropyl)propanamide
CID 155152835
N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane
CID 170583212
2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide
CID 170609804
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
CID 171733416
3-[3-(2,2,2-Trifluoroethoxy)propanoylamino]butanoic acid
CID 43360803
N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417534
N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(1-hydroxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418548
N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54917438

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide (CID 103209157) is 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide is CC(CCO)NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The InChIKey is TZHULLBNKMMGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-7(2-4-13)12-9(14)3-5-15-6-8(10)11/h7-8,13H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(4-hydroxybutan-2-yl)propanamide has a molecular weight of 225.23 g/mol, XLogP of 0.55, 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-(4-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 103209157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).