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

C9H12F6O2 — CID 21353337

IUPAC4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane
SMILESCCC1CC(C)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F6O2/c1-3-6-4-5(2)16-7(17-6,8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyJGXVEZZGSWTWTF-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.41
Rot. Bonds1

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

4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane (PubChem CID 21353337) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane
PubChem CID21353337
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane
SMILESCCC1CC(C)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H12F6O2/c1-3-6-4-5(2)16-7(17-6,8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyJGXVEZZGSWTWTF-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.41
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-2,2-bis(trifluoromethyl)-1,3-dioxane?
The IUPAC name of 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane (CID 21353337) is 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane is CCC1CC(C)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The InChIKey is JGXVEZZGSWTWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-3-6-4-5(2)16-7(17-6,8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane?
4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane has a molecular weight of 266.18 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-2,2-bis(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 21353337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).