3-ethenyl-5,5-difluoro-2,2-dimethyloxolane

C8H12F2O — CID 45090768

IUPAC3-ethenyl-5,5-difluoro-2,2-dimethyloxolane
SMILESC=CC1CC(F)(F)OC1(C)C
InChIInChI=1S/C8H12F2O/c1-4-6-5-8(9,10)11-7(6,2)3/h4,6H,1,5H2,2-3H3
InChIKeyNFZWUBBJSXHHEH-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.58
Rot. Bonds1

About 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane

3-ethenyl-5,5-difluoro-2,2-dimethyloxolane (PubChem CID 45090768) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-ethenyl-5,5-difluoro-2,2-dimethyloxolane
PubChem CID45090768
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-ethenyl-5,5-difluoro-2,2-dimethyloxolane
SMILESC=CC1CC(F)(F)OC1(C)C
InChIInChI=1S/C8H12F2O/c1-4-6-5-8(9,10)11-7(6,2)3/h4,6H,1,5H2,2-3H3
InChIKeyNFZWUBBJSXHHEH-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane 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-ethenyl-5,5-difluoro-2,2-dimethyloxolane?
The IUPAC name of 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane (CID 45090768) is 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane.
What is the SMILES notation for 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane?
The canonical SMILES for 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane is C=CC1CC(F)(F)OC1(C)C.
What is the InChIKey of 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane?
The InChIKey is NFZWUBBJSXHHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-4-6-5-8(9,10)11-7(6,2)3/h4,6H,1,5H2,2-3H3.
What are the key properties of 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane?
3-ethenyl-5,5-difluoro-2,2-dimethyloxolane has a molecular weight of 162.18 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5,5-difluoro-2,2-dimethyloxolane is sourced from PubChem (CID 45090768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).