4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane

C7H11F3O2 — CID 171761970

IUPAC4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane
SMILESCC1OCOC(C)C1C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4-6(7(8,9)10)5(2)12-3-11-4/h4-6H,3H2,1-2H3
InChIKeyHOXFPVJFLMSJTH-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.95
Rot. Bonds

About 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane

4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane (PubChem CID 171761970) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane
PubChem CID171761970
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane
SMILESCC1OCOC(C)C1C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4-6(7(8,9)10)5(2)12-3-11-4/h4-6H,3H2,1-2H3
InChIKeyHOXFPVJFLMSJTH-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane?
The IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane (CID 171761970) is 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane is CC1OCOC(C)C1C(F)(F)F.
What is the InChIKey of 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane?
The InChIKey is HOXFPVJFLMSJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4-6(7(8,9)10)5(2)12-3-11-4/h4-6H,3H2,1-2H3.
What are the key properties of 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane?
4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane has a molecular weight of 184.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 171761970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).