ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate

C11H16F2O4 — CID 139530204

IUPACethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1CC(F)(F)CCC12OCCO2
InChIInChI=1S/C11H16F2O4/c1-2-15-9(14)8-7-10(12,13)3-4-11(8)16-5-6-17-11/h8H,2-7H2,1H3
InChIKeyGBLAOZLIXQVZGR-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.73
Rot. Bonds2

About ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate

ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 139530204) has the molecular formula C11H16F2O4 and a molecular weight of 250.24 g/mol. Its IUPAC name is ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nameethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID139530204
Molecular FormulaC11H16F2O4
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Nameethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1CC(F)(F)CCC12OCCO2
InChIInChI=1S/C11H16F2O4/c1-2-15-9(14)8-7-10(12,13)3-4-11(8)16-5-6-17-11/h8H,2-7H2,1H3
InChIKeyGBLAOZLIXQVZGR-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate 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 ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The IUPAC name of ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 139530204) is ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate is CCOC(=O)C1CC(F)(F)CCC12OCCO2.
What is the InChIKey of ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is GBLAOZLIXQVZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O4/c1-2-15-9(14)8-7-10(12,13)3-4-11(8)16-5-6-17-11/h8H,2-7H2,1H3.
What are the key properties of ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate?
ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 250.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 139530204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).