7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

C11H14F2O3 — CID 71343758

IUPAC7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)CC2(C=C(C(F)F)C1=O)OCCO2
InChIInChI=1S/C11H14F2O3/c1-10(2)6-11(15-3-4-16-11)5-7(8(10)14)9(12)13/h5,9H,3-4,6H2,1-2H3
InChIKeyWGYDSCJMDKFUPM-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.92
Rot. Bonds1

About 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 71343758) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID71343758
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)CC2(C=C(C(F)F)C1=O)OCCO2
InChIInChI=1S/C11H14F2O3/c1-10(2)6-11(15-3-4-16-11)5-7(8(10)14)9(12)13/h5,9H,3-4,6H2,1-2H3
InChIKeyWGYDSCJMDKFUPM-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one 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 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 71343758) is 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is CC1(C)CC2(C=C(C(F)F)C1=O)OCCO2.
What is the InChIKey of 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is WGYDSCJMDKFUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-10(2)6-11(15-3-4-16-11)5-7(8(10)14)9(12)13/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 232.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 71343758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).