2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one

C11H13F3O3 — CID 54527434

IUPAC2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one
SMILESCC1=CC2(CC(C)(C(F)(F)F)C1=O)OC(C)O2
InChIInChI=1S/C11H13F3O3/c1-6-4-10(16-7(2)17-10)5-9(3,8(6)15)11(12,13)14/h4,7H,5H2,1-3H3
InChIKeyYUCQDOWJCOMMKJ-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.56
Rot. Bonds

About 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one

2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one (PubChem CID 54527434) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one
PubChem CID54527434
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one
SMILESCC1=CC2(CC(C)(C(F)(F)F)C1=O)OC(C)O2
InChIInChI=1S/C11H13F3O3/c1-6-4-10(16-7(2)17-10)5-9(3,8(6)15)11(12,13)14/h4,7H,5H2,1-3H3
InChIKeyYUCQDOWJCOMMKJ-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-5-trifluoromethyl-1,1-ethylenedioxy-2-cyclohexen-4-one
CID 11831832
2,3,7,9-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 70873417
7-(Difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 71343758
2,6,8,8-Tetramethyl-1,3-dioxaspiro[3.5]non-5-en-7-one
CID 54445682

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one?
The IUPAC name of 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one (CID 54527434) is 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one is CC1=CC2(CC(C)(C(F)(F)F)C1=O)OC(C)O2.
What is the InChIKey of 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one?
The InChIKey is YUCQDOWJCOMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c1-6-4-10(16-7(2)17-10)5-9(3,8(6)15)11(12,13)14/h4,7H,5H2,1-3H3.
What are the key properties of 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one?
2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one has a molecular weight of 250.22 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-8-(trifluoromethyl)-1,3-dioxaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 54527434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).