1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane

C8H16F2O2 — CID 58044366

IUPAC1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane
SMILESCOCCOC(F)(F)C(C)(C)C
InChIInChI=1S/C8H16F2O2/c1-7(2,3)8(9,10)12-6-5-11-4/h5-6H2,1-4H3
InChIKeyIZILLDSTTZVKLY-UHFFFAOYSA-N
MW182.21 g/mol
LogP2.29
Rot. Bonds4

About 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane

1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane (PubChem CID 58044366) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane
PubChem CID58044366
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane
SMILESCOCCOC(F)(F)C(C)(C)C
InChIInChI=1S/C8H16F2O2/c1-7(2,3)8(9,10)12-6-5-11-4/h5-6H2,1-4H3
InChIKeyIZILLDSTTZVKLY-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane 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-1-(2-methoxyethoxy)-2,2-dimethylpropane?
The IUPAC name of 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane (CID 58044366) is 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane?
The canonical SMILES for 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane is COCCOC(F)(F)C(C)(C)C.
What is the InChIKey of 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane?
The InChIKey is IZILLDSTTZVKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2/c1-7(2,3)8(9,10)12-6-5-11-4/h5-6H2,1-4H3.
What are the key properties of 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane?
1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane has a molecular weight of 182.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(2-methoxyethoxy)-2,2-dimethylpropane is sourced from PubChem (CID 58044366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).