1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene

C8H12F2O3 — CID 62706708

IUPAC1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene
SMILESC=CC(OCOCCOC)=C(F)F
InChIInChI=1S/C8H12F2O3/c1-3-7(8(9)10)13-6-12-5-4-11-2/h3H,1,4-6H2,2H3
InChIKeyANGYULVDALVODR-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.92
Rot. Bonds7

About 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene

1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene (PubChem CID 62706708) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene.

Molecular Properties

Compound Name1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene
PubChem CID62706708
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene
SMILESC=CC(OCOCCOC)=C(F)F
InChIInChI=1S/C8H12F2O3/c1-3-7(8(9)10)13-6-12-5-4-11-2/h3H,1,4-6H2,2H3
InChIKeyANGYULVDALVODR-UHFFFAOYSA-N
XLogP1.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene 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 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene?
The IUPAC name of 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene (CID 62706708) is 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene.
What is the SMILES notation for 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene?
The canonical SMILES for 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene is C=CC(OCOCCOC)=C(F)F.
What is the InChIKey of 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene?
The InChIKey is ANGYULVDALVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-3-7(8(9)10)13-6-12-5-4-11-2/h3H,1,4-6H2,2H3.
What are the key properties of 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene?
1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene has a molecular weight of 194.18 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-methoxyethoxymethoxy)buta-1,3-diene is sourced from PubChem (CID 62706708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).