N-(2,2-difluoroethoxy)acetamide

C4H7F2NO2 — CID 130471289

IUPACN-(2,2-difluoroethoxy)acetamide
SMILESCC(=O)NOCC(F)F
InChIInChI=1S/C4H7F2NO2/c1-3(8)7-9-2-4(5)6/h4H,2H2,1H3,(H,7,8)
InChIKeyYUNZUWRHQKHHHI-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.32
Rot. Bonds3

About N-(2,2-difluoroethoxy)acetamide

N-(2,2-difluoroethoxy)acetamide (PubChem CID 130471289) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is N-(2,2-difluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethoxy)acetamide
PubChem CID130471289
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC NameN-(2,2-difluoroethoxy)acetamide
SMILESCC(=O)NOCC(F)F
InChIInChI=1S/C4H7F2NO2/c1-3(8)7-9-2-4(5)6/h4H,2H2,1H3,(H,7,8)
InChIKeyYUNZUWRHQKHHHI-UHFFFAOYSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxytrifluoracetamide
CID 62492180
N-ethoxy-2,2,2-trifluoroacetamide
CID 62492516
N-(2,2,2-trifluoroethoxy)propanamide
CID 81339817
N-(difluoromethoxy)propanamide
CID 87581787
2,2-difluoro-N-methoxyacetamide
CID 103515761
N-ethoxy-2,2-difluoroacetamide
CID 103610610
N-(2,2-difluoroethoxy)propanamide
CID 131155465
N-(2,2-difluoroethoxy)-2-methylpropanamide
CID 131208584
N-(trifluoromethoxy)propanamide
CID 137366054
N-(1,1,2,2-tetrafluoroethoxy)acetamide
CID 140364623
N-(trifluoromethoxy)acetamide
CID 145063070
N-(difluoromethoxy)acetamide
CID 153915700

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethoxy)acetamide?
The IUPAC name of N-(2,2-difluoroethoxy)acetamide (CID 130471289) is N-(2,2-difluoroethoxy)acetamide.
What is the SMILES notation for N-(2,2-difluoroethoxy)acetamide?
The canonical SMILES for N-(2,2-difluoroethoxy)acetamide is CC(=O)NOCC(F)F.
What is the InChIKey of N-(2,2-difluoroethoxy)acetamide?
The InChIKey is YUNZUWRHQKHHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-3(8)7-9-2-4(5)6/h4H,2H2,1H3,(H,7,8).
What are the key properties of N-(2,2-difluoroethoxy)acetamide?
N-(2,2-difluoroethoxy)acetamide has a molecular weight of 139.10 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethoxy)acetamide is sourced from PubChem (CID 130471289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).