5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane

C11H20F2O2 — CID 130196116

IUPAC5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
SMILESCCC1(C(C)C)COC(CF)(CF)OC1
InChIInChI=1S/C11H20F2O2/c1-4-10(9(2)3)7-14-11(5-12,6-13)15-8-10/h9H,4-8H2,1-3H3
InChIKeyPQWTXIYJNCYLCV-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.72
Rot. Bonds4

About 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane

5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane (PubChem CID 130196116) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
PubChem CID130196116
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane
SMILESCCC1(C(C)C)COC(CF)(CF)OC1
InChIInChI=1S/C11H20F2O2/c1-4-10(9(2)3)7-14-11(5-12,6-13)15-8-10/h9H,4-8H2,1-3H3
InChIKeyPQWTXIYJNCYLCV-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane?
The IUPAC name of 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane (CID 130196116) is 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane is CCC1(C(C)C)COC(CF)(CF)OC1.
What is the InChIKey of 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane?
The InChIKey is PQWTXIYJNCYLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-4-10(9(2)3)7-14-11(5-12,6-13)15-8-10/h9H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane?
5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane has a molecular weight of 222.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-bis(fluoromethyl)-5-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 130196116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).