[3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate

C16H20F2O6 — CID 15828580

IUPAC[3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate
SMILESCOCCOCOC(=C(F)F)C(OC(=O)COC)c1ccccc1
InChIInChI=1S/C16H20F2O6/c1-20-8-9-22-11-23-15(16(17)18)14(24-13(19)10-21-2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKeyRSEUYEPLLMXDMH-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.66
Rot. Bonds11

About [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate

[3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate (PubChem CID 15828580) has the molecular formula C16H20F2O6 and a molecular weight of 346.33 g/mol. Its IUPAC name is [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate.

Molecular Properties

Compound Name[3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate
PubChem CID15828580
Molecular FormulaC16H20F2O6
Molecular Weight346.33 g/mol
Exact Mass346.12
IUPAC Name[3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate
SMILESCOCCOCOC(=C(F)F)C(OC(=O)COC)c1ccccc1
InChIInChI=1S/C16H20F2O6/c1-20-8-9-22-11-23-15(16(17)18)14(24-13(19)10-21-2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKeyRSEUYEPLLMXDMH-UHFFFAOYSA-N
XLogP2.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate 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 [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate?
The IUPAC name of [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate (CID 15828580) is [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate.
What is the SMILES notation for [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate?
The canonical SMILES for [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate is COCCOCOC(=C(F)F)C(OC(=O)COC)c1ccccc1.
What is the InChIKey of [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate?
The InChIKey is RSEUYEPLLMXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O6/c1-20-8-9-22-11-23-15(16(17)18)14(24-13(19)10-21-2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3.
What are the key properties of [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate?
[3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate has a molecular weight of 346.33 g/mol, XLogP of 2.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-2-(2-methoxyethoxymethoxy)-1-phenylprop-2-enyl] 2-methoxyacetate is sourced from PubChem (CID 15828580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).