N-ethyl-2,2-difluoro-N-methoxyacetamide

C5H9F2NO2 — CID 130512967

IUPACN-ethyl-2,2-difluoro-N-methoxyacetamide
SMILESCCN(OC)C(=O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-3-8(10-2)5(9)4(6)7/h4H,3H2,1-2H3
InChIKeyWHHFGHLVIOPMEF-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.66
Rot. Bonds3

About N-ethyl-2,2-difluoro-N-methoxyacetamide

N-ethyl-2,2-difluoro-N-methoxyacetamide (PubChem CID 130512967) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-methoxyacetamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-methoxyacetamide
PubChem CID130512967
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC NameN-ethyl-2,2-difluoro-N-methoxyacetamide
SMILESCCN(OC)C(=O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-3-8(10-2)5(9)4(6)7/h4H,3H2,1-2H3
InChIKeyWHHFGHLVIOPMEF-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-methoxyacetamide?
The IUPAC name of N-ethyl-2,2-difluoro-N-methoxyacetamide (CID 130512967) is N-ethyl-2,2-difluoro-N-methoxyacetamide.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-methoxyacetamide?
The canonical SMILES for N-ethyl-2,2-difluoro-N-methoxyacetamide is CCN(OC)C(=O)C(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-N-methoxyacetamide?
The InChIKey is WHHFGHLVIOPMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-3-8(10-2)5(9)4(6)7/h4H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-N-methoxyacetamide?
N-ethyl-2,2-difluoro-N-methoxyacetamide has a molecular weight of 153.13 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-methoxyacetamide is sourced from PubChem (CID 130512967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).