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

C7H11F2NO2 — CID 103513998

IUPAC2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)C(F)F
InChIInChI=1S/C7H11F2NO2/c1-2-3-10(4-5-11)7(12)6(8)9/h2,6,11H,1,3-5H2
InChIKeyJLSVHUFDPWGXKB-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.26
Rot. Bonds5

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

2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide (PubChem CID 103513998) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
PubChem CID103513998
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)C(F)F
InChIInChI=1S/C7H11F2NO2/c1-2-3-10(4-5-11)7(12)6(8)9/h2,6,11H,1,3-5H2
InChIKeyJLSVHUFDPWGXKB-UHFFFAOYSA-N
XLogP0.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide (CID 103513998) is 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide is C=CCN(CCO)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The InChIKey is JLSVHUFDPWGXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-2-3-10(4-5-11)7(12)6(8)9/h2,6,11H,1,3-5H2.
What are the key properties of 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide has a molecular weight of 179.17 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 103513998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).