2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide

C8H13F2NO2 — CID 103516152

IUPAC2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-3-4-11(5-6-13-2)8(12)7(9)10/h3,7H,1,4-6H2,2H3
InChIKeyAUUXUODHBYGWNV-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.91
Rot. Bonds6

About 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide

2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide (PubChem CID 103516152) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
PubChem CID103516152
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-3-4-11(5-6-13-2)8(12)7(9)10/h3,7H,1,4-6H2,2H3
InChIKeyAUUXUODHBYGWNV-UHFFFAOYSA-N
XLogP0.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 103513987
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 103338873
(2R)-2-amino-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpentanamide
CID 103338814
ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate
CID 103339953
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
CID 103338776
3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide (CID 103516152) is 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide is C=CCN(CCOC)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The InChIKey is AUUXUODHBYGWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-3-4-11(5-6-13-2)8(12)7(9)10/h3,7H,1,4-6H2,2H3.
What are the key properties of 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide has a molecular weight of 193.19 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 103516152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).