2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane

C14H24F4O2 — CID 167040045

IUPAC2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane
SMILESCCC(C)(C)C1OC(F)(F)C(F)(F)OC1C(C)(C)CC
InChIInChI=1S/C14H24F4O2/c1-7-11(3,4)9-10(12(5,6)8-2)20-14(17,18)13(15,16)19-9/h9-10H,7-8H2,1-6H3
InChIKeyCSMAPBUJSAPHQJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP4.83
Rot. Bonds4

About 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane

2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane (PubChem CID 167040045) has the molecular formula C14H24F4O2 and a molecular weight of 300.34 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane
PubChem CID167040045
Molecular FormulaC14H24F4O2
Molecular Weight300.34 g/mol
Exact Mass300.17
IUPAC Name2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane
SMILESCCC(C)(C)C1OC(F)(F)C(F)(F)OC1C(C)(C)CC
InChIInChI=1S/C14H24F4O2/c1-7-11(3,4)9-10(12(5,6)8-2)20-14(17,18)13(15,16)19-9/h9-10H,7-8H2,1-6H3
InChIKeyCSMAPBUJSAPHQJ-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane?
The IUPAC name of 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane (CID 167040045) is 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane.
What is the SMILES notation for 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane?
The canonical SMILES for 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane is CCC(C)(C)C1OC(F)(F)C(F)(F)OC1C(C)(C)CC.
What is the InChIKey of 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane?
The InChIKey is CSMAPBUJSAPHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F4O2/c1-7-11(3,4)9-10(12(5,6)8-2)20-14(17,18)13(15,16)19-9/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane?
2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane has a molecular weight of 300.34 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane is sourced from PubChem (CID 167040045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).