2-ethyl-2-fluoro-3,3-dimethyloxirane

C6H11FO — CID 23235445

IUPAC2-ethyl-2-fluoro-3,3-dimethyloxirane
SMILESCCC1(F)OC1(C)C
InChIInChI=1S/C6H11FO/c1-4-6(7)5(2,3)8-6/h4H2,1-3H3
InChIKeyLCLCFZQRHYWZLA-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.87
Rot. Bonds1

About 2-ethyl-2-fluoro-3,3-dimethyloxirane

2-ethyl-2-fluoro-3,3-dimethyloxirane (PubChem CID 23235445) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-3,3-dimethyloxirane.

Molecular Properties

Compound Name2-ethyl-2-fluoro-3,3-dimethyloxirane
PubChem CID23235445
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name2-ethyl-2-fluoro-3,3-dimethyloxirane
SMILESCCC1(F)OC1(C)C
InChIInChI=1S/C6H11FO/c1-4-6(7)5(2,3)8-6/h4H2,1-3H3
InChIKeyLCLCFZQRHYWZLA-UHFFFAOYSA-N
XLogP1.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-ethyl-2-fluoro-3,3-dimethyloxirane 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-ethyl-2-fluoro-3,3-dimethyloxirane?
The IUPAC name of 2-ethyl-2-fluoro-3,3-dimethyloxirane (CID 23235445) is 2-ethyl-2-fluoro-3,3-dimethyloxirane.
What is the SMILES notation for 2-ethyl-2-fluoro-3,3-dimethyloxirane?
The canonical SMILES for 2-ethyl-2-fluoro-3,3-dimethyloxirane is CCC1(F)OC1(C)C.
What is the InChIKey of 2-ethyl-2-fluoro-3,3-dimethyloxirane?
The InChIKey is LCLCFZQRHYWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-4-6(7)5(2,3)8-6/h4H2,1-3H3.
What are the key properties of 2-ethyl-2-fluoro-3,3-dimethyloxirane?
2-ethyl-2-fluoro-3,3-dimethyloxirane has a molecular weight of 118.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-3,3-dimethyloxirane is sourced from PubChem (CID 23235445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).