4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane

C10H17F3O2 — CID 21353338

IUPAC4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane
SMILESCCC1CC(C)OC(CCC(F)(F)F)O1
InChIInChI=1S/C10H17F3O2/c1-3-8-6-7(2)14-9(15-8)4-5-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyUQTTUFIZVVPWPJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.26
Rot. Bonds3

About 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane

4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane (PubChem CID 21353338) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane.

Molecular Properties

Compound Name4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane
PubChem CID21353338
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane
SMILESCCC1CC(C)OC(CCC(F)(F)F)O1
InChIInChI=1S/C10H17F3O2/c1-3-8-6-7(2)14-9(15-8)4-5-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyUQTTUFIZVVPWPJ-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane?
The IUPAC name of 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane (CID 21353338) is 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane.
What is the SMILES notation for 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane?
The canonical SMILES for 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane is CCC1CC(C)OC(CCC(F)(F)F)O1.
What is the InChIKey of 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane?
The InChIKey is UQTTUFIZVVPWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-3-8-6-7(2)14-9(15-8)4-5-10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane?
4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane has a molecular weight of 226.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1,3-dioxane is sourced from PubChem (CID 21353338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).