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

C8H10F6O2 — CID 22887511

IUPAC4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane
SMILESCC1CC(C)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H10F6O2/c1-4-3-5(2)16-6(15-4,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyUMMLODJHADCPBS-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.02
Rot. Bonds

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

4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane (PubChem CID 22887511) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane
PubChem CID22887511
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane
SMILESCC1CC(C)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H10F6O2/c1-4-3-5(2)16-6(15-4,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyUMMLODJHADCPBS-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The IUPAC name of 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane (CID 22887511) is 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane is CC1CC(C)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane?
The InChIKey is UMMLODJHADCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2/c1-4-3-5(2)16-6(15-4,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane?
4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane has a molecular weight of 252.15 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 22887511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).