N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide

C8H15F2NO3 — CID 104858090

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3/c1-2-3-14-4-7(13)11-5-8(9,10)6-12/h12H,2-6H2,1H3,(H,11,13)
InChIKeyPLMBPQSREWHTNZ-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.16
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide (PubChem CID 104858090) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
PubChem CID104858090
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3/c1-2-3-14-4-7(13)11-5-8(9,10)6-12/h12H,2-6H2,1H3,(H,11,13)
InChIKeyPLMBPQSREWHTNZ-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.16
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-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
CID 103713311
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide
CID 107939067
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62337065
N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
CID 106173501
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
N-(2,3-dihydroxypropyl)-2-propoxyacetamide
CID 107939672
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide (CID 104858090) is N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide is CCCOCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide?
The InChIKey is PLMBPQSREWHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-2-3-14-4-7(13)11-5-8(9,10)6-12/h12H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide has a molecular weight of 211.21 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide is sourced from PubChem (CID 104858090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).