N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide

C7H13F2NO3 — CID 103082376

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCOCC(F)F
InChIInChI=1S/C7H13F2NO3/c1-12-5-7(11)10-2-3-13-4-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyIMHYTKQWBRKKNP-UHFFFAOYSA-N
MW197.18 g/mol
LogP0.03
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide

N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide (PubChem CID 103082376) has the molecular formula C7H13F2NO3 and a molecular weight of 197.18 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
PubChem CID103082376
Molecular FormulaC7H13F2NO3
Molecular Weight197.18 g/mol
Exact Mass197.09
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCOCC(F)F
InChIInChI=1S/C7H13F2NO3/c1-12-5-7(11)10-2-3-13-4-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyIMHYTKQWBRKKNP-UHFFFAOYSA-N
XLogP0.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
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-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
CID 167520055
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylbutanamide
CID 156861015
1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea
CID 103082293
ethyl 4-[2-(2,2-difluoroethoxy)ethylamino]-4-oxobutanoate
CID 103082388
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methoxyacetamide
CID 103939815
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155320272
1-butyl-3-[2-(2,2-difluoroethoxy)ethyl]urea
CID 103082291
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106110715

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide (CID 103082376) is N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide is COCC(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide?
The InChIKey is IMHYTKQWBRKKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3/c1-12-5-7(11)10-2-3-13-4-6(8)9/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide has a molecular weight of 197.18 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 103082376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).