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

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Related Compounds

1,4-Dioxaspiro[4.5]decane-6-carboxylic acid
CID 322629
Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 336004
1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
CID 175122
Ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate
CID 14435894
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-6,6,6-trifluorohexanoate
CID 58329754
Ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 66038599
[1-Acetyloxy-3-(1,1-difluoroethoxy)propan-2-yl] cyclohexanecarboxylate
CID 118261283
8-(Trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
CID 134299794
(6R,8R)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
CID 138684441
(6S,8S)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
CID 138684443
Methyl 1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]cyclohexane-1-carboxylate
CID 140120927
3-(Cyclohexanecarbonyloxy)-2,2-difluoro-4-methylpentanoate
CID 140669903

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).