6-(difluoromethoxy)-1-oxaspiro[2.5]octane

C8H12F2O2 — CID 134451755

IUPAC6-(difluoromethoxy)-1-oxaspiro[2.5]octane
SMILESFC(F)OC1CCC2(CC1)CO2
InChIInChI=1S/C8H12F2O2/c9-7(10)12-6-1-3-8(4-2-6)5-11-8/h6-7H,1-5H2
InChIKeySFYMBHYEVWQGJT-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.94
Rot. Bonds2

About 6-(difluoromethoxy)-1-oxaspiro[2.5]octane

6-(difluoromethoxy)-1-oxaspiro[2.5]octane (PubChem CID 134451755) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6-(difluoromethoxy)-1-oxaspiro[2.5]octane
PubChem CID134451755
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name6-(difluoromethoxy)-1-oxaspiro[2.5]octane
SMILESFC(F)OC1CCC2(CC1)CO2
InChIInChI=1S/C8H12F2O2/c9-7(10)12-6-1-3-8(4-2-6)5-11-8/h6-7H,1-5H2
InChIKeySFYMBHYEVWQGJT-UHFFFAOYSA-N
XLogP1.94
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(difluoromethoxy)-1-oxaspiro[2.5]octane 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 6-(difluoromethoxy)-1-oxaspiro[2.5]octane?
The IUPAC name of 6-(difluoromethoxy)-1-oxaspiro[2.5]octane (CID 134451755) is 6-(difluoromethoxy)-1-oxaspiro[2.5]octane.
What is the SMILES notation for 6-(difluoromethoxy)-1-oxaspiro[2.5]octane?
The canonical SMILES for 6-(difluoromethoxy)-1-oxaspiro[2.5]octane is FC(F)OC1CCC2(CC1)CO2.
What is the InChIKey of 6-(difluoromethoxy)-1-oxaspiro[2.5]octane?
The InChIKey is SFYMBHYEVWQGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c9-7(10)12-6-1-3-8(4-2-6)5-11-8/h6-7H,1-5H2.
What are the key properties of 6-(difluoromethoxy)-1-oxaspiro[2.5]octane?
6-(difluoromethoxy)-1-oxaspiro[2.5]octane has a molecular weight of 178.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134451755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).