5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C19H15F3O8 — CID 166868264

IUPAC5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=c2ccc(=C3C(=O)OC(C)(C)OC3=O)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C19H15F3O8/c1-17(2)27-13(23)11(14(24)28-17)8-5-6-9(10(7-8)19(20,21)22)12-15(25)29-18(3,4)30-16(12)26/h5-7H,1-4H3
InChIKeyIUBVDHAIDBIWBH-UHFFFAOYSA-N
MW428.32 g/mol
LogP0.68
Rot. Bonds

About 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 166868264) has the molecular formula C19H15F3O8 and a molecular weight of 428.32 g/mol. Its IUPAC name is 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID166868264
Molecular FormulaC19H15F3O8
Molecular Weight428.32 g/mol
Exact Mass428.07
IUPAC Name5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=c2ccc(=C3C(=O)OC(C)(C)OC3=O)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C19H15F3O8/c1-17(2)27-13(23)11(14(24)28-17)8-5-6-9(10(7-8)19(20,21)22)12-15(25)29-18(3,4)30-16(12)26/h5-7H,1-4H3
InChIKeyIUBVDHAIDBIWBH-UHFFFAOYSA-N
XLogP0.68
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 166868264) is 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=c2ccc(=C3C(=O)OC(C)(C)OC3=O)c(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is IUBVDHAIDBIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O8/c1-17(2)27-13(23)11(14(24)28-17)8-5-6-9(10(7-8)19(20,21)22)12-15(25)29-18(3,4)30-16(12)26/h5-7H,1-4H3.
What are the key properties of 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 428.32 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 166868264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).